sigsearch_GSE69556

Purpose

This markdown follows differential expression analyses from deseq2_GSE134719.Rmd, deseq2_GSE149739.Rmd, and deseq2_GSE69556.Rmd. DEGs from these markdowns are used as input for signatureSearch. Results are annotated with Drug Repurposing Hub and onSides data.
Data Sets - ’39 / Pre-Cystic P70: GSE149739
- ’19 / Cystic P21: GSE134719
- ’56 / Cystic P28: GSE69556

Load libraries

library(signatureSearch)
library(ggplot2)
library(ggalluvial)
library(readr)
library(signatureSearch)
library(ExperimentHub); library(rhdf5)
library(here)

Pull LINCS data from Experiment Hub

eh <- ExperimentHub()
cmap <- eh[["EH3223"]]; cmap_expr <- eh[["EH3224"]]
lincs <- eh[["EH3226"]]; lincs_expr <- eh[["EH3227"]]
h5ls(lincs)

##   group     name       otype dclass           dim
## 0     /    assay H5I_DATASET  FLOAT 12328 x 45956
## 1     / colnames H5I_DATASET STRING     45956 x 1
## 2     / rownames H5I_DATASET STRING     12328 x 1

db_path <- system.file("extdata", "sample_db.h5", package = "signatureSearch")

Custom functions

ssRun: Wrapper for qsiq(), signature query, using up and down genes, and gess_lincs(), the ‘lincs’ signatureSearch method for gene expression signature search, sorting the results by WTCS and calculating Tau values, and then filtering for inversely related signatures and for kidney cell lines (HA1E and NKDBA) only

ssRun <- function(upgenes, downgenes, cells){
  q <- qSig(query = list(upset=as.character(upgenes), downset=as.character(downgenes)), gess_method="LINCS", refdb= lincs)
  gess <- gess_lincs(q, sortby="WTCS", tau=TRUE, workers=1)
  gess_res <- result(gess)
  gess_res <- dplyr::filter(gess_res, WTCS < 0)
  if(cells == "kidney"){
    gess_kidney <- gess_res %>% dplyr::filter(cell == "HA1E" | cell == "NKDBA")
    return(gess_kidney)
  }
  else{
return(gess_res)
  }
}

GSE149739 (precystic dataset)

Load in top up and down DEGs

hom_degs_UP <- read.csv(here("res", "deseq2_outputs", "GSE149739_degs_UP_220421.csv"))
hom_degs_DOWN <- read.csv(here("res", "deseq2_outputs", "GSE149739_degs_DOWN_220421.csv"))

Run signatureSearch, filter for kidney cell lines

gess_kidneycells_39 <- ssRun(upgenes = hom_degs_UP$entrezgene_id, downgenes = hom_degs_DOWN$entrezgene_id, cells = "kidney")

## 100 / 100 genes in up set share identifiers with reference database

## 100 / 100 genes in down set share identifiers with reference database

Visualize Top 20

gess_res_vis(gess_kidneycells_39, drugs = unique(gess_kidneycells_39$pert)[1:20], col = "WTCS")

knitr::kable(gess_kidneycells_39, col.names = colnames(gess_kidneycells_39))

pert	cell	type	trend	WTCS	WTCS_Pval	WTCS_FDR	NCS	Tau	TauRefSize	NCSct	N_upset	N_downset	t_gn_sym	MOAss	PCIDss
etoposide	HA1E	trt_cp	down	-0.4868071	0.0000223	0.0012714	-1.8364178	-99.33066	2241	-1.6417348	100	100	ABCB1; ABCC1; ABCC2; ABCC3; ABCG2; APAF1; BAX; CASP2; CASP6; CASP8; CASP9; CDKN1A; CYCS; CYP2E1; CYP3A5; DCK; FAS; H2AFX; KMT2A; LMNB1; MAPK8; MCL1; RB1; TOP2A; TOP2B; TP53	Topoisomerase inhibitor	73707602
amsacrine	HA1E	trt_cp	down	-0.4769293	0.0000228	0.0012714	-1.7991550	-98.75056	2241	-1.5002160	100	100	ALB; KCNH2; ORM1; TOP2A; TOP2B	Topoisomerase inhibitor	2179
pyrvinium-pamoate	HA1E	trt_cp	down	-0.4599350	0.0000235	0.0012714	-1.7350462	-99.28603	2241	-1.5591281	100	100	AR	AKT inhibitor	73707397
SA-1919710	NKDBA	trt_cp	down	-0.4402283	0.0000244	0.0012714	-1.4769169	NA	229	-1.2946834	100	100	NA	NA	54668959
TW-37	HA1E	trt_cp	down	-0.4185416	0.0000253	0.0012714	-1.5788949	-98.48282	2241	-1.3194388	100	100	BCL2; BCL2L1; MCL1	BCL inhibitor	11455910
terfenadine	HA1E	trt_cp	down	-0.4059475	0.0000258	0.0012714	-1.5313850	-94.28826	2241	-1.2284263	100	100	CHRM1; CHRM4; CHRM5; HRH1; KCNH1; KCNH2	Histamine receptor antagonist	5405
NSC-663284	HA1E	trt_cp	down	-0.4045818	0.0000259	0.0012714	-1.5262334	-92.94958	2241	-1.4857490	100	100	CDC25A; CDC25B; CDC25C	CDC inhibitor	379077
BRD-K60870698	HA1E	trt_cp	down	-0.4005568	0.0000261	0.0012714	-1.5110496	-95.31459	2241	-1.3447834	100	100	NA	NA	3238417
CGP-71683	HA1E	trt_cp	down	-0.4000399	0.0000261	0.0012714	-1.5090993	-91.65551	2241	-1.2038953	100	100	NPY5R	Neuropeptide receptor antagonist	56668433
BRD-A47816767	HA1E	trt_cp	down	-0.3949414	0.0000263	0.0012714	-1.4898661	-96.11780	2241	-1.3985359	100	100	NA	NA	2876959
CD-437	HA1E	trt_cp	down	-0.3897703	0.0000265	0.0012714	-1.4703586	-95.89469	2241	-1.4591912	100	100	RARG	Retinoid receptor agonist	135411
NNC-55-0396	HA1E	trt_cp	down	-0.3893145	0.0000266	0.0012714	-1.4686395	-91.20928	2241	-1.4253313	100	100	CATSPER1; CATSPER2; CATSPER3; CATSPER4	T-type calcium channel blocker	9957280
BRD-K92317137	HA1E	trt_cp	down	-0.3877627	0.0000266	0.0012714	-1.4627853	-96.92102	2241	-0.6857114	100	100	NA	NA	659101
CHEMBL-399379	NKDBA	trt_cp	down	-0.3869892	0.0000267	0.0012714	-1.2983056	NA	229	-0.8698648	100	100	NA	NA	16747776
SA-1459854	NKDBA	trt_cp	down	-0.3866074	0.0000267	0.0012714	-1.2970249	NA	229	-0.8690067	100	100	NA	NA	54660156
thapsigargin	HA1E	trt_cp	down	-0.3827852	0.0000269	0.0012714	-1.4440082	-93.48505	2241	-1.4489538	100	100	ATP2A1; ATP2A2; ATP2A3; ATP2C1; ATP2C2	ATPase inhibitor	5353993
SA-1922659	NKDBA	trt_cp	down	-0.3774678	0.0000271	0.0012714	-1.2663623	NA	229	-1.1721838	100	100	NA	NA	54668627
rhodomyrtoxin-b	HA1E	trt_cp	down	-0.3771924	0.0000271	0.0012714	-1.4229104	-87.99643	2241	-1.5074657	100	100	NA	sodium fluorescein uptake inhibitor	3270699
AG-957	HA1E	trt_cp	down	-0.3745827	0.0000272	0.0012714	-1.4130656	-91.38777	2241	0.0000000	100	100	ABL1; EGFR	Protein tyrosine kinase inhibitor	2064
MW-STK33-2A	NKDBA	trt_cp	down	-0.3744920	0.0000272	0.0012714	-1.2563789	NA	229	-0.7378034	100	100	NA	NA	709391
RS-17053	HA1E	trt_cp	down	-0.3743746	0.0000272	0.0012714	-1.4122803	-92.05712	2241	-1.2244105	100	100	ADRA1A; ADRA1D	Adrenergic receptor antagonist	3894573
BRD-K73610817	HA1E	trt_cp	down	-0.3732910	0.0000273	0.0012714	-1.4081926	-93.21731	2241	-1.4116491	100	100	NA	NA	3426979
IKK-2-inhibitor-V	HA1E	trt_cp	down	-0.3726417	0.0000273	0.0012714	-1.4057433	-88.88889	2241	-1.1115169	100	100	IKBKB	IKK inhibitor; NFkB pathway inhibitor	5081913
BRD-K05153001	HA1E	trt_cp	down	-0.3723020	0.0000273	0.0012714	-1.4044616	-87.72869	2241	-1.4048545	100	100	NA	NA	665013
methylene-blue	HA1E	trt_cp	down	-0.3680950	0.0000275	0.0012714	-1.3885915	-93.08344	2241	-1.2769866	100	100	ACHE; MAPT	Guanylyl cyclase inhibitor; Monoamine oxidase inhibitor; Nitric oxide production inhibitor; Tau aggregation inhibitor	4139
pyrvinium-pamoate	NKDBA	trt_cp	down	-0.3673161	0.0000275	0.0012714	-1.2323048	NA	229	-1.5591281	100	100	AR	AKT inhibitor	73707397
irinotecan	HA1E	trt_cp	down	-0.3652801	0.0000276	0.0012714	-1.3779726	-96.20705	2241	-1.1134668	100	100	ABCB1; ABCC2; ABCG2; CES2; CES5A; CYP3A5; TOP1; TOP1MT	Topoisomerase inhibitor	60838
LY-294002	NKDBA	trt_cp	down	-0.3634064	0.0000278	0.0012714	-1.2191880	NA	229	-0.8124416	100	100	AKT1; CHEK1; GSK3B; LCK; MAPK11; MAPK12; MAPK14; MAPK8; MTOR; PDE2A; PIK3CA; PIK3CB; PIK3CD; PIK3CG; PIM1; PLK1; PRKCA; PRKDC; ROCK1; RPS6KB1; SGK1	DNA dependent protein kinase inhibitor; MTOR inhibitor; Phosphodiesterase inhibitor; PI3K inhibitor; PLK inhibitor	3973
camptothecin	HA1E	trt_cp	down	-0.3620031	0.0000278	0.0012714	-1.3656106	-91.74476	2241	-0.4162621	100	100	HIF1A; TOP1	Topoisomerase inhibitor	2538
SKI-II	NKDBA	trt_cp	down	-0.3617020	0.0000278	0.0012714	-1.2134700	NA	229	-0.0331254	100	100	SPHK1	NA	753704
NSC-3852	HA1E	trt_cp	down	-0.3615493	0.0000278	0.0012714	-1.3638984	-89.82597	2241	-1.0979054	100	100	HDAC1	HDAC inhibitor	19103
SA-1458163	NKDBA	trt_cp	down	-0.3607646	0.0000279	0.0012714	-1.2103252	NA	229	-0.8109179	100	100	NA	NA	54658692
JAK3-inhibitor-VI	HA1E	trt_cp	down	-0.3602430	0.0000279	0.0012714	-1.3589708	-91.92325	2241	-1.1771555	100	100	NA	JAK inhibitor	9947841
perhexiline	HA1E	trt_cp	down	-0.3600280	0.0000279	0.0012714	-1.3581595	-87.90718	2241	-1.3863599	100	100	CPT1A; CPT2; KCNH2	Carnitine palmitoyltransferase inhibitor	5284439
geldanamycin	NKDBA	trt_cp	down	-0.3597005	0.0000279	0.0012714	-1.2067552	NA	229	0.0000000	100	100	HSP90AA1; HSP90AB1; HSP90B1	HSP inhibitor	3460
BRD-K21064560	HA1E	trt_cp	down	-0.3595615	0.0000279	0.0012714	-1.3563997	-84.29273	2241	-0.7744561	100	100	NA	NA	16759163
dactinomycin	HA1E	trt_cp	down	-0.3582950	0.0000280	0.0012714	-1.3516223	-89.06738	2241	0.0000000	100	100	POLR2A; TOP2A; TOP2B	RNA polymerase inhibitor	457193
lylamine	HA1E	trt_cp	down	-0.3554240	0.0000283	0.0012714	-1.3407918	-84.64971	2241	-0.8998443	100	100	CNR1	Cannabinoid receptor agonist	62034
PCI-24781	HA1E	trt_cp	down	-0.3550670	0.0000283	0.0012714	-1.3394451	-89.55823	2241	-1.2527447	100	100	NA	NA	11749858
ixazomib	NKDBA	trt_cp	down	-0.3533653	0.0000285	0.0012714	-1.1855011	NA	229	-1.2376759	100	100	PSMB5	NA	25183872
SA-1459234	NKDBA	trt_cp	down	-0.3509703	0.0000289	0.0012714	-1.1774664	NA	229	-0.7889025	100	100	NA	NA	54657607
niclosamide	HA1E	trt_cp	down	-0.3496072	0.0000290	0.0012714	-1.3188486	-84.56046	2241	-1.1260467	100	100	STAT3	DNA replication inhibitor; STAT inhibitor	4477
PD-198306	HA1E	trt_cp	down	-0.3483597	0.0000297	0.0012714	-1.3141426	-87.72869	2241	-1.1234965	100	100	MAP2K1; MAP2K2; MAPK3	MAP kinase inhibitor; MEK inhibitor	9956637
MG-132	NKDBA	trt_cp	down	-0.3482001	0.0000297	0.0012714	-1.1681727	NA	229	-1.1925714	100	100	PSMB1	Proteasome inhibitor	462382
BAY-11-7082	HA1E	trt_cp	down	-0.3477551	0.0000297	0.0012714	-1.3118617	-85.76528	2241	0.0000000	100	100	NA	NA	5353431
chlorambucil	HA1E	trt_cp	down	-0.3465515	0.0000299	0.0012714	-1.3073215	-94.46676	2241	-0.0195342	100	100	NA	DNA inhibitor	2708
SA-84869	NKDBA	trt_cp	down	-0.3454525	0.0000304	0.0012714	-1.1589546	NA	229	-1.0208108	100	100	NA	NA	44492693
panobinostat	NKDBA	trt_cp	down	-0.3444832	0.0000307	0.0012714	-1.1557028	NA	229	-1.0232023	100	100	HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9	HDAC inhibitor	6918837
niguldipine	HA1E	trt_cp	down	-0.3435237	0.0000307	0.0012714	-1.2958995	-87.68407	2241	-1.3150547	100	100	ADRA1A; ADRA1B; ADRA1D; CACNA1C	Adrenergic receptor antagonist; Calcium channel blocker	71317558
berbamine	HA1E	trt_cp	down	-0.3433573	0.0000314	0.0012714	-1.2952717	-89.37974	2241	-1.1006220	100	100	CALM1	Calmodulin antagonist	275182
wortmannin	NKDBA	trt_cp	down	-0.3424190	0.0000319	0.0012714	-1.1487776	NA	229	-1.0738443	100	100	ATM; ATR; MTOR; MYLK; PI4KA; PI4KB; PIK3C2B; PIK3C3; PIK3CA; PIK3CD; PIK3CG; PIK3R1; PIK3R4; PLK1; PLK2; PLK3; PRKDC	PI3K inhibitor	312145
vorinostat	NKDBA	trt_cp	down	-0.3423947	0.0000319	0.0012714	-1.1486962	NA	229	-1.1540461	100	100	HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9	HDAC inhibitor	5311
BRD-K67774729	HA1E	trt_cp	down	-0.3416256	0.0000319	0.0012714	-1.2887390	-88.79964	2241	-0.0271271	100	100	NA	NA	54645916
CGK-733	HA1E	trt_cp	down	-0.3382592	0.0000352	0.0013085	-1.2760399	-82.64168	2241	-1.2656002	100	100	ATM; ATR	ATR kinase inhibitor	6605258
tyrphostin-AG-555	HA1E	trt_cp	down	-0.3342903	0.0000407	0.0014142	-1.2610674	-82.24007	2241	0.0000000	100	100	CDK2; EGFR	EGFR inhibitor	5328770
BRD-K11533227	HA1E	trt_cp	down	-0.3341740	0.0000407	0.0014142	-1.2606290	-97.85810	2241	-0.6312668	100	100	NA	NA	NotFound
ER-27319	HA1E	trt_cp	down	-0.3317938	0.0000438	0.0014707	-1.2516500	-82.68630	2241	0.0000000	100	100	NA	Mediator release inhibitor; SYK inhibitor	9799509
trichostatin-a	NKDBA	trt_cp	down	-0.3314819	0.0000458	0.0015039	-1.1120847	NA	229	-1.0551294	100	100	HDAC1; HDAC10; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9	CDK activator; HDAC inhibitor; ID1 inhibitor	444732
AM-404	HA1E	trt_cp	down	-0.3303096	0.0000480	0.0015433	-1.2460508	-91.29853	2241	0.0000000	100	100	CNR1; CNR2; FAAH; TRPV1	Cyclooxygenase inhibitor; FAAH inhibitor; TRPV antagonist	6604822
alprenolol	HA1E	trt_cp	down	-0.3296228	0.0000480	0.0015433	-1.2434601	-90.80768	2241	0.0000000	100	100	ADCY10; ADRB1; ADRB2; ADRB3	Adrenergic receptor antagonist	2119
scriptaid	HA1E	trt_cp	down	-0.3293475	0.0000503	0.0015843	-1.2424214	-84.96207	2241	-1.2584441	100	100	HDAC1; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9	HDAC inhibitor	5186
NTNCB	HA1E	trt_cp	down	-0.3282229	0.0000531	0.0016400	-1.2381791	-76.92994	2241	-0.0353765	100	100	NPY5R	Neuropeptide receptor antagonist	9982218
H-89	HA1E	trt_cp	down	-0.3267715	0.0000560	0.0016923	-1.2327039	-81.61535	2241	-1.0146206	100	100	GSG2; KCNA2; KCNA3; KCNA5; KCNAB2; KCNC1; KCNC2; KCNC3; KCNE1; KCNE2; KCNE3; KCNE4; KCNH1; KCNH2; KCNQ1; KCNQ2; KCNQ3; KCNQ5; KCNS3; PKIA; PRKACA	PKA inhibitor	449241
avrainvillamide-analog-3	HA1E	trt_cp	down	-0.3258991	0.0000594	0.0017635	-1.2294126	-86.65774	2241	-0.9940010	100	100	NPM1	nucleophosmin inhibitor	73707609
trichostatin-a	HA1E	trt_cp	down	-0.3251911	0.0000629	0.0018210	-1.2267418	-78.93797	2241	-1.0551294	100	100	HDAC1; HDAC10; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9	CDK activator; HDAC inhibitor; ID1 inhibitor	444732
cucurbitacin-i	HA1E	trt_cp	down	-0.3244809	0.0000671	0.0019131	-1.2240628	-71.39670	2241	-0.9822442	100	100	JAK2; STAT3	JAK inhibitor; Lipocortin synthesis stimulant; STAT inhibitor	73707401
FCCP	HA1E	trt_cp	down	-0.3228046	0.0000720	0.0020066	-1.2177391	-83.40027	2241	-1.0797825	100	100	NA	Mitochondrial oxidative phosphorylation uncoupler	3330
cercosporin	HA1E	trt_cp	down	-0.3224546	0.0000774	0.0021165	-1.2164188	-84.24810	2241	-1.2184113	100	100	NA	Photoactivated toxin	91617
mitomycin-c	HA1E	trt_cp	down	-0.3221736	0.0000774	0.0021165	-1.2153589	-88.48728	2241	-0.8201074	100	100	NA	DNA alkylating agent; DNA inhibitor; DNA synthesis inhibitor	5746
CMPD-1	HA1E	trt_cp	down	-0.3207203	0.0000829	0.0022255	-1.2098763	-82.46319	2241	-0.0241975	100	100	GNRHR; MAPK14	p38 MAPK inhibitor	11382492
nortriptyline	HA1E	trt_cp	down	-0.3197447	0.0000892	0.0023409	-1.2061962	-79.60732	2241	-1.0465753	100	100	ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; ADRB3; CHRM1; CHRM4; CHRM5; HRH1; HTR6; KCNJ10; PGRMC1; PIK3CD; SIGMAR1; SLC6A2; SLC6A4	Tricyclic antidepressant	441358
brefeldin-a	HA1E	trt_cp	down	-0.3179295	0.0001033	0.0026249	-1.1993487	-86.39000	2241	-1.1685998	100	100	ARF1; ARFGEF1; ARFGEF2; CYTH2; GBF1; SAR1A	Brefeldin A inhibited guanine nucleotide exchange protein inhibitor; Golgi-specific brefeldin A-resistance guanine nucleotide exchange factor inhibitor; Protein synthesis inhibitor	5287620
PSB-069	HA1E	trt_cp	down	-0.3178956	0.0001033	0.0026249	-1.1992207	-93.84203	2241	0.0000000	100	100	ENTPD1; ENTPD2; ENTPD3	NTPDase inhibitor	24868311
SA-425500	NKDBA	trt_cp	down	-0.3177250	0.0001033	0.0026249	-1.0659321	NA	229	0.0000000	100	100	NA	NA	44498587
ixazomib	HA1E	trt_cp	down	-0.3175344	0.0001033	0.0026249	-1.1978581	-85.58679	2241	-1.2376759	100	100	PSMB5	NA	25183872
vinpocetine	HA1E	trt_cp	down	-0.3150868	0.0001317	0.0031740	-1.1886249	-91.34315	2241	0.0000000	100	100	PDE1A; PDE1C; SCN10A	Phosphodiesterase inhibitor; Sodium channel blocker	5673
15-delta-prostaglandin-j2	HA1E	trt_cp	down	-0.3149812	0.0001317	0.0031740	-1.1882264	-85.63141	2241	0.0000000	100	100	NR1H4; PPARG	PPAR receptor agonist	6375741
SB-225002	HA1E	trt_cp	down	-0.3149142	0.0001317	0.0031740	-1.1879736	-84.60509	2241	0.0000000	100	100	CXCR2	CC chemokine receptor antagonist	3854666
WR-216174	HA1E	trt_cp	down	-0.3139955	0.0001429	0.0033629	-1.1845079	-64.88175	2241	-0.0287141	100	100	NA	PFMRK inhibitor	10405323
BRD-K07079548	HA1E	trt_cp	down	-0.3134520	0.0001554	0.0035934	-1.1824578	-83.40027	2241	-0.7483347	100	100	NA	NA	11957524
BRD-K01121114	HA1E	trt_cp	down	-0.3118961	0.0001678	0.0038026	-1.1765884	-86.83623	2241	-0.9437257	100	100	NA	NA	49843203
SA-1921574	NKDBA	trt_cp	down	-0.3111083	0.0001829	0.0040775	-1.0437337	NA	229	-0.4148821	100	100	NA	NA	54669029
menadione	HA1E	trt_cp	down	-0.3105738	0.0001829	0.0040775	-1.1716000	-71.88755	2241	-0.8253642	100	100	AOX1; BGLAP; CDC25A; F10; F2; F7; F9; GGCX; NQO1; NQO2; PKM; PROC; PROS1; PROZ; RP11-196G11.1; VKORC1; VKORC1L1	Mitochondrial DNA polymerase inhibitor; Phosphatase inhibitor	4055
isonicotinohydroxamic-acid	HA1E	trt_cp	down	-0.3102659	0.0002002	0.0044065	-1.1704384	-94.15440	2241	0.0000000	100	100	NA	NA	72967
chelidonine	HA1E	trt_cp	down	-0.3101392	0.0002002	0.0044065	-1.1699604	-75.94824	2241	-1.0253640	100	100	NA	Tubulin inhibitor	10147
SA-1919877	NKDBA	trt_cp	down	-0.3099084	0.0002002	0.0044065	-1.0397083	NA	229	-0.6966045	100	100	NA	NA	54667404
estradiol-cypionate	HA1E	trt_cp	down	-0.3097423	0.0002002	0.0044065	-1.1684635	-88.79964	2241	0.0000000	100	100	ESR1	Estrogen receptor agonist	9403
chlorphenesin-carbamate	HA1E	trt_cp	down	-0.3096906	0.0002002	0.0044065	-1.1682684	-88.44266	2241	0.0000000	100	100	NA	NA	2724
sulconazole	HA1E	trt_cp	down	-0.3072641	0.0002626	0.0055103	-1.1591145	-88.21954	2241	-1.1626380	100	100	NA	Sterol demethylase inhibitor	65495
BRD-K48974000	HA1E	trt_cp	down	-0.3071407	0.0002626	0.0055103	-1.1586491	-83.04328	2241	0.0000000	100	100	NA	NA	1398345
vorinostat	HA1E	trt_cp	down	-0.3064451	0.0002885	0.0059500	-1.1560249	-76.97456	2241	-1.1540461	100	100	HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9	HDAC inhibitor	5311
BL003-049-HDAC3	HA1E	trt_cp	down	-0.3063492	0.0002885	0.0059500	-1.1556632	-89.11200	2241	-0.9035696	100	100	NA	NA	NotFound
BRD-K19876534	HA1E	trt_cp	down	-0.3047580	0.0003168	0.0064300	-1.1496608	-85.40830	2241	0.0000000	100	100	NA	NA	54646516
benzyl-quinazolin-4-yl-amine	HA1E	trt_cp	down	-0.3041309	0.0003477	0.0068992	-1.1472951	-83.40027	2241	-0.9588308	100	100	EGFR	EGFR inhibitor	6603129
rottlerin	HA1E	trt_cp	down	-0.3040668	0.0003477	0.0068992	-1.1470534	-80.14279	2241	-0.6342926	100	100	KCNH2; TGM2	MAP kinase inhibitor; Protein kinase inhibitor	5281847
thiothixene	HA1E	trt_cp	down	-0.3032323	0.0003811	0.0074521	-1.1439052	-75.81437	2241	0.0000000	100	100	DRD1; HRH1	Dopamine receptor antagonist	6444849
L-690488	HA1E	trt_cp	down	-0.3029151	0.0003811	0.0074521	-1.1427084	-84.78358	2241	-1.1025854	100	100	IMPA1	Inositol monophosphatase inhibitor	5132514
BRD-K26767475	HA1E	trt_cp	down	-0.3011925	0.0004571	0.0086553	-1.1362104	-70.72735	2241	0.0215711	100	100	NA	NA	44142043
SA-427604	NKDBA	trt_cp	down	-0.3007537	0.0004571	0.0086553	-1.0089951	NA	229	-0.6760267	100	100	NA	NA	44620034
SA-1920013	NKDBA	trt_cp	down	-0.3005133	0.0004571	0.0086553	-1.0081885	NA	229	-0.9514507	100	100	NA	NA	54666569
L-741742	HA1E	trt_cp	down	-0.2994600	0.0005486	0.0100639	-1.1296746	-82.82017	2241	-0.0132013	100	100	DRD3; DRD4; SCN1A; SCN3A	Dopamine receptor antagonist	133008
SR-27897	HA1E	trt_cp	down	-0.2993846	0.0005486	0.0100639	-1.1293903	-84.91745	2241	0.0000000	100	100	CCKAR	CCK receptor antagonist	122077
BRD-A06276885	HA1E	trt_cp	down	-0.2989631	0.0005486	0.0100639	-1.1278002	-66.35431	2241	-0.0338340	100	100	NA	NA	4257102
COL-3	HA1E	trt_cp	down	-0.2979491	0.0006023	0.0108635	-1.1239751	-78.04552	2241	-1.3266836	100	100	NA	NA	73707525
SA-96805	NKDBA	trt_cp	down	-0.2963072	0.0007223	0.0126542	-0.9940778	NA	229	-0.6660321	100	100	NA	NA	44497527
mebendazole	HA1E	trt_cp	down	-0.2956699	0.0007223	0.0126542	-1.1153772	-68.76394	2241	0.0000000	100	100	TUBA1A; TUBB; TUBB4B	Tubulin inhibitor	4030
KF-38789	HA1E	trt_cp	down	-0.2954949	0.0007895	0.0136402	-1.1147168	-64.16778	2241	0.0000000	100	100	SELP	P-selectin inhibitor	5310849
tacedinaline	HA1E	trt_cp	down	-0.2949961	0.0007895	0.0136402	-1.1128351	-66.57742	2241	-1.2053505	100	100	HDAC1	HDAC inhibitor	2746
PHA-665752	HA1E	trt_cp	down	-0.2925523	0.0009442	0.0156712	-1.1036162	-54.70772	2241	0.0000000	100	100	BMP2K; CAMKK1; CAMKK2; DDR1; GRK7; HIPK1; HIPK3; MAP3K19; MAP4K5; MET; SRPK1; TAOK3	c-Met inhibitor	10461815
mevastatin	HA1E	trt_cp	down	-0.2915635	0.0010317	0.0168604	-1.0998862	-66.84516	2241	-0.6060639	100	100	HMGCR	HMGCR inhibitor	29922189
SA-427636	NKDBA	trt_cp	down	-0.2912867	0.0011282	0.0180457	-0.9772344	NA	229	-0.6547470	100	100	NA	NA	44616599
purvalanol-a	HA1E	trt_cp	down	-0.2899360	0.0012294	0.0193288	-1.0937466	-67.60375	2241	-1.3397013	100	100	CCND1; CCNE1; CDK1; CDK2; CDK4; CDK5; CSNK1G3; RPS6KA1; SRC	CDK inhibitor; DYRK inhibitor	456214
riboflavin	HA1E	trt_cp	down	-0.2890584	0.0013421	0.0207597	-1.0904358	-80.58902	2241	0.0000000	100	100	ACP1; ACP5; ACP6; ACPP; ACPT; BLVRB; ENPP1; FLAD1; RFK; SLC52A3	Vitamin B	493570
BRD-A76641868	HA1E	trt_cp	down	-0.2888990	0.0013421	0.0207597	-1.0898346	-65.55109	2241	-0.8070338	100	100	NA	NA	663281
YM-298198	HA1E	trt_cp	down	-0.2874928	0.0015986	0.0240087	-1.0845299	-78.89335	2241	0.0000000	100	100	GRM1	Glutamate receptor antagonist	9819432
AMG-9810	HA1E	trt_cp	down	-0.2867823	0.0015986	0.0240087	-1.0818495	-72.73539	2241	0.0000000	100	100	TRPV1	TRPV antagonist	680502
AG-592	HA1E	trt_cp	down	-0.2864199	0.0017460	0.0257514	-1.0804824	-66.80054	2241	-0.0277664	100	100	NA	Tyrosine kinase inhibitor	NotFound
proadifen	HA1E	trt_cp	down	-0.2854158	0.0019031	0.0276776	-1.0766949	-84.69433	2241	-0.0189514	100	100	NOS1	Nitric oxide synthase inhibitor	4910
forskolin	NKDBA	trt_cp	down	-0.2842595	0.0020710	0.0295577	-0.9536589	NA	229	0.0000000	100	100	ADCY1; ADCY2; ADCY4; ADCY5; ADCY6; ADCY7; GNAL; GNAS	Adenylyl cyclase activator	3413
erythrosine	HA1E	trt_cp	down	-0.2840515	0.0020710	0.0295577	-1.0715479	-62.60598	2241	0.0000000	100	100	NA	Coloring agent	12961638
CAM-9-027-3	HA1E	trt_cp	down	-0.2832044	0.0022521	0.0315933	-1.0683526	-77.86702	2241	-0.9892875	100	100	NA	NA	49849912
EO-1428	HA1E	trt_cp	down	-0.2830270	0.0022521	0.0315933	-1.0676834	-51.67336	2241	0.0000000	100	100	MAPK11; MAPK14	p38 MAPK inhibitor	9801969
vinblastine	HA1E	trt_cp	down	-0.2814306	0.0026642	0.0360000	-1.0616611	-58.32218	2241	-0.0325105	100	100	ABCB1; ABCB4; ABCC2; JUN; STMN4; TUBA1A; TUBB; TUBD1; TUBE1; TUBG1	Microtubule inhibitor; Tubulin inhibitor	5667
ARP-101	HA1E	trt_cp	down	-0.2810529	0.0026642	0.0360000	-1.0602361	-65.32798	2241	-0.7955038	100	100	NA	NA	11292680
albendazole	HA1E	trt_cp	down	-0.2806278	0.0026642	0.0360000	-1.0586327	-76.88532	2241	0.0412884	100	100	CYP1A2; CYP2J2; TUBA1A; TUBB; TUBB4B	Anthelmintic; Tubulin inhibitor	2082
olvanil	HA1E	trt_cp	down	-0.2794845	0.0031381	0.0409008	-1.0543197	-54.70772	2241	0.0000000	100	100	CNR1; GPR119; TRPV1	TRPV agonist	5808649
penitrem-a	HA1E	trt_cp	down	-0.2778888	0.0034056	0.0436193	-1.0483000	-50.95939	2241	0.0000000	100	100	KCNMA1	Potassium channel blocker	4732
T-98475	HA1E	trt_cp	down	-0.2770120	0.0036926	0.0464162	-1.0449924	-64.61401	2241	-1.0486581	100	100	GNRH1; GNRHR	Gonadotropin releasing factor hormone receptor antagonist	9874838
BRD-K69304050	HA1E	trt_cp	down	-0.2768755	0.0036926	0.0464162	-1.0444775	-70.95047	2241	-0.0115978	100	100	NA	NA	25243777
ISOX	HA1E	trt_cp	down	-0.2766693	0.0036926	0.0464162	-1.0436996	-80.09817	2241	-0.9542200	100	100	HDAC6	HDAC inhibitor	24951314
BAY-59-3074	HA1E	trt_cp	down	-0.2763870	0.0040006	0.0495024	-1.0426348	-78.62561	2241	0.0000000	100	100	CNR1; CNR2	Cannabinoid receptor partial agonist	10479060
BRD-K83194053	HA1E	trt_cp	down	-0.2759392	0.0040006	0.0495024	-1.0409456	-69.92414	2241	-0.9487050	100	100	NA	NA	23631972
L-168049	HA1E	trt_cp	down	-0.2752765	0.0043300	0.0526425	-1.0384455	-79.56270	2241	-1.0428034	100	100	GCGR	Glucagon receptor antagonist	5311276
cyclosporin-a	HA1E	trt_cp	down	-0.2750893	0.0043300	0.0526425	-1.0377395	-51.98572	2241	-0.0415096	100	100	ABCB11; CAMLG; CYP3A5; CYP3A7; FPR1; PPIA; PPID; PPIF; PPP3CA; PPP3R2; SLC10A1; SLCO1B1; SLCO1B3	Calcineurin inhibitor	16404350
BRD-K26510616	HA1E	trt_cp	down	-0.2750416	0.0043300	0.0526425	-1.0375592	-61.44578	2241	-0.9292991	100	100	NA	NA	NotFound
BRD-K87657228	HA1E	trt_cp	down	-0.2746279	0.0043300	0.0526425	-1.0359986	-80.41053	2241	0.0000000	100	100	NA	NA	44229067
tetrindole	HA1E	trt_cp	down	-0.2742268	0.0046813	0.0558790	-1.0344857	-61.98126	2241	-1.0377718	100	100	MAOA	Monoamine oxidase inhibitor	160019
DR-2313	HA1E	trt_cp	down	-0.2729007	0.0050660	0.0594066	-1.0294830	-75.23427	2241	-0.8342344	100	100	PARP1; PARP3	PARP inhibitor	135522417
clebopride	HA1E	trt_cp	down	-0.2728233	0.0050660	0.0594066	-1.0291912	-59.70549	2241	-0.0138308	100	100	ACHE	Dopamine receptor antagonist	2780
tyrphostin-AG-556	HA1E	trt_cp	down	-0.2709493	0.0059111	0.0668922	-1.0221216	-61.80277	2241	-0.9562694	100	100	EGFR	EGFR inhibitor	2059
cetirizine	HA1E	trt_cp	down	-0.2702056	0.0063767	0.0711105	-1.0193163	-61.17805	2241	0.0000000	100	100	HRH1; IL8	Histamine receptor antagonist	2678
SA-1921617	NKDBA	trt_cp	down	-0.2699104	0.0063767	0.0711105	-0.9055195	NA	229	-0.5547265	100	100	NA	NA	54666572
methylergometrine	HA1E	trt_cp	down	-0.2693469	0.0068820	0.0756626	-1.0160769	-75.50201	2241	0.0000000	100	100	DRD1; HTR1E; HTR1F; HTR2B	Dopamine receptor antagonist; Serotonin receptor antagonist	4140
GW-4064	HA1E	trt_cp	down	-0.2681983	0.0074167	0.0800665	-1.0117437	-76.57296	2241	-0.3589385	100	100	NR1H4	FXR agonist	9893571
SA-1456195	NKDBA	trt_cp	down	-0.2676031	0.0074167	0.0800665	-0.8977785	NA	229	-0.6015116	100	100	NA	NA	54657953
Y-27152	HA1E	trt_cp	down	-0.2675943	0.0074167	0.0800665	-1.0094655	-67.64837	2241	0.0000000	100	100	ABCC9; KCNJ8	Potassium channel activator	6918184
BRD-K27484191	HA1E	trt_cp	down	-0.2672655	0.0079852	0.0848084	-1.0082249	-49.48684	2241	-0.9251068	100	100	NA	NA	663290
BRD-A89208012	HA1E	trt_cp	down	-0.2671306	0.0079852	0.0848084	-1.0077163	-56.49264	2241	0.0000000	100	100	NA	NA	6071382
fisetinidol	HA1E	trt_cp	down	-0.2668382	0.0079852	0.0848084	-1.0066129	-59.08077	2241	0.8752271	100	100	NA	NA	442397
SB-216763	HA1E	trt_cp	down	-0.2665512	0.0079852	0.0848084	-1.0055303	-66.71129	2241	0.0000000	100	100	CDK2; GSK3A; GSK3B	Glycogen synthase kinase inhibitor	176158
BRD-K71835137	HA1E	trt_cp	down	-0.2655382	0.0085974	0.0897549	-1.0017092	-78.22401	2241	0.0000000	100	100	NA	NA	2778741
caffeic-acid	HA1E	trt_cp	down	-0.2653326	0.0092511	0.0950465	-1.0009335	-53.14592	2241	-0.8298760	100	100	ALOX5; MIF; RELA; TNF	HIV integrase inhibitor; Lipoxygenase inhibitor; NFkB pathway inhibitor; Nitric oxide production inhibitor; PPAR receptor modulator; TNF production inhibitor; Tumor necrosis factor production inhibitor	689043
SA-247636	NKDBA	trt_cp	down	-0.2645311	0.0092511	0.0950465	-0.8874723	NA	229	-0.9372323	100	100	NA	NA	44507299
SA-432137	NKDBA	trt_cp	down	-0.2633922	0.0106731	0.1062589	-0.8836516	NA	229	-0.5920466	100	100	NA	NA	44491516
KUC111774N	HA1E	trt_cp	down	-0.2632298	0.0106731	0.1062589	-0.9930010	-51.85185	2241	-1.3505880	100	100	NA	NA	12387471
BRD-K13842623	HA1E	trt_cp	down	-0.2621773	0.0114617	0.1122384	-0.9890304	-63.36457	2241	0.0000000	100	100	NA	NA	44142063
clomipramine	HA1E	trt_cp	down	-0.2619458	0.0114617	0.1122384	-0.9881573	-65.10486	2241	0.0000000	100	100	HTR2B; SLC6A2; SLC6A3; SLC6A4	Serotonin transporter inhibitor (SERT)	2801
SA-1462246	NKDBA	trt_cp	down	-0.2616138	0.0114617	0.1122384	-0.8776851	NA	229	-0.5880490	100	100	NA	NA	54655268
BRD-A47832959	NKDBA	trt_cp	down	-0.2611373	0.0122900	0.1187304	-0.8760867	NA	229	0.0000000	100	100	NA	NA	3913264
fenbendazole	HA1E	trt_cp	down	-0.2607343	0.0122900	0.1187304	-0.9835867	-37.17091	2241	0.0000000	100	100	CYP2D6; CYP2J2; CYP3A4; TUBB	Tubulin inhibitor	3334
BMY-7378	HA1E	trt_cp	down	-0.2606407	0.0122900	0.1187304	-0.9832339	-66.48817	2241	0.0000000	100	100	ADRA1A; ADRA1B; ADRA1D	Adrenergic receptor antagonist; Serotonin receptor antagonist	2419
7b-cis	HA1E	trt_cp	down	-0.2600078	0.0131762	0.1257322	-0.9808461	-60.37483	2241	-1.2948475	100	100	XPO1	Exportin antagonist	44589607
piperine	HA1E	trt_cp	down	-0.2578575	0.0150962	0.1397300	-0.9727345	-70.68273	2241	0.7799259	100	100	MAOA; MAOB; NR1I2; TRPV1	Monoamine oxidase inhibitor	638024
apicidin	HA1E	trt_cp	down	-0.2566722	0.0161437	0.1471146	-0.9682633	-65.23873	2241	-1.1257948	100	100	HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9	HDAC inhibitor	467801
triflupromazine	HA1E	trt_cp	down	-0.2554075	0.0184416	0.1631691	-0.9634924	-49.93307	2241	0.0000000	100	100	CHRM1; CHRNA7; DRD1; HTR2B	Dopamine receptor antagonist	5568
purvalanol-b	HA1E	trt_cp	down	-0.2541925	0.0196884	0.1719174	-0.9589089	-60.82106	2241	-0.0141860	100	100	CDK2; CDK4; CDK5; MAPK3; SRPK2	Tyrosine kinase inhibitor	448991
MBCQ	HA1E	trt_cp	down	-0.2536033	0.0196884	0.1719174	-0.9566863	-58.76841	2241	-0.0167911	100	100	PDE5A	Phosphodiesterase inhibitor	6610310
tebuthiuron	HA1E	trt_cp	down	-0.2535454	0.0196884	0.1719174	-0.9564677	-68.54083	2241	0.0000000	100	100	NA	Photosynthesis inhibitor	5383
thiostrepton	NKDBA	trt_cp	down	-0.2535173	0.0196884	0.1719174	-0.8505225	NA	229	-0.8902413	100	100	FOXM1	FOXM1 inhibitor; Protein synthesis inhibitor	16129995
arvanil	HA1E	trt_cp	down	-0.2534209	0.0210094	0.1812819	-0.9559979	-57.02811	2241	0.0000000	100	100	CNR1; TRPV1	TRPV agonist	6449767
resorcinol	HA1E	trt_cp	down	-0.2526314	0.0210094	0.1812819	-0.9530198	-69.03168	2241	0.0000000	100	100	CA12; CA14; INS-IGF2; PNMT; TPO	Phosphodiesterase inhibitor	5054
selinidin	HA1E	trt_cp	down	-0.2510760	0.0238390	0.1999174	-0.9471521	-59.97323	2241	-0.0094715	100	100	NA	Mast cell stabilizer	668081
BRD-K98025142	HA1E	trt_cp	down	-0.2507004	0.0238390	0.1999174	-0.9457354	-75.10040	2241	-0.0137240	100	100	NA	NA	701237
promazine	HA1E	trt_cp	down	-0.2498018	0.0253670	0.2103134	-0.9423453	-54.43998	2241	-0.2900703	100	100	ADRA1A; ADRA1B; ADRA1D; CHRM1; CHRM4; CHRM5; DRD1; DRD3; DRD4; HRH1; PRNP	Dopamine receptor antagonist	4926
O-2050	HA1E	trt_cp	down	-0.2494279	0.0269838	0.2205745	-0.9409350	-50.06693	2241	-0.6937165	100	100	CNR1	Cannabinoid receptor antagonist	16102146
fillalbin	HA1E	trt_cp	down	-0.2491882	0.0269838	0.2205745	-0.9400307	-72.60152	2241	0.0000000	100	100	NA	Increases arterial blood pressure	933171
niclosamide	NKDBA	trt_cp	down	-0.2490941	0.0269838	0.2205745	-0.8356831	NA	229	-1.1260467	100	100	STAT3	DNA replication inhibitor; STAT inhibitor	4477
YK-4279	HA1E	trt_cp	down	-0.2488187	0.0269838	0.2205745	-0.9386369	-61.98126	2241	0.7670139	100	100	DHX9; EWSR1; FLI1	Apoptosis stimulant; EWS-FLI1 inhibitor	44632017
BRD-K87964538	HA1E	trt_cp	down	-0.2486433	0.0269838	0.2205745	-0.9379750	-66.57742	2241	-0.0187595	100	100	NA	NA	665518
BML-190	HA1E	trt_cp	down	-0.2486152	0.0269838	0.2205745	-0.9378691	-68.98706	2241	0.0000000	100	100	CNR2	Cannabinoid receptor inverse agonist	2415
tolmetin	HA1E	trt_cp	down	-0.2483960	0.0286771	0.2311270	-0.9370421	-69.79027	2241	-0.0280292	100	100	NA	Cyclooxygenase inhibitor	5509
H-9	HA1E	trt_cp	down	-0.2483151	0.0286771	0.2311270	-0.9367369	-40.47300	2241	0.0000000	100	100	PRKACA	PKA inhibitor	24113957
tubastatin-a	HA1E	trt_cp	down	-0.2482031	0.0286771	0.2311270	-0.9363145	-64.39090	2241	-0.8942657	100	100	HDAC6	HDAC inhibitor	49850262
hippeastrine	HA1E	trt_cp	down	-0.2481514	0.0286771	0.2311270	-0.9361197	-56.62651	2241	0.0000000	100	100	NA	Plant alkaloid	441594
RS-39604	HA1E	trt_cp	down	-0.2479079	0.0286771	0.2311270	-0.9352010	-46.22936	2241	0.0000000	100	100	HTR4	Serotonin receptor antagonist	5145950
rizatriptan	HA1E	trt_cp	down	-0.2477580	0.0286771	0.2311270	-0.9346354	-55.82329	2241	0.0000000	100	100	HTR1B; HTR1D; HTR1E; HTR1F	Serotonin receptor agonist	5078
tipifarnib	HA1E	trt_cp	down	-0.2477568	0.0286771	0.2311270	-0.9346309	-73.89558	2241	0.0000000	100	100	CHURC1-FNTB; FNTA; FNTB; RP11-598P20.5	Farnesyltransferase inhibitor	9935249
BRD-K27630941	HA1E	trt_cp	down	-0.2473549	0.0304564	0.2416111	-0.9331146	-62.78447	2241	-0.0163196	100	100	NA	NA	24747182
SKF-81297	HA1E	trt_cp	down	-0.2471332	0.0304564	0.2416111	-0.9322786	-61.04418	2241	0.0000000	100	100	DRD1	Dopamine receptor agonist	11957706
SA-1462678	NKDBA	trt_cp	down	-0.2470007	0.0304564	0.2416111	-0.8286598	NA	229	-0.5552021	100	100	NA	NA	54657141
SA-1919875	NKDBA	trt_cp	down	-0.2469017	0.0304564	0.2416111	-0.8283276	NA	229	-0.5549795	100	100	NA	NA	54666573
metixene	HA1E	trt_cp	down	-0.2464748	0.0323254	0.2523861	-0.9297949	-67.73762	2241	-0.0181718	100	100	CHRM1; CHRM4; CHRM5	Acetylcholine receptor antagonist	4167
BRD-K61627029	HA1E	trt_cp	down	-0.2461753	0.0323254	0.2523861	-0.9286648	-73.04775	2241	0.0000000	100	100	NA	NA	1248117
ricinine	HA1E	trt_cp	down	-0.2453324	0.0342699	0.2642023	-0.9254850	-55.60018	2241	0.0000000	100	100	NA	Casein kinase inhibitor	10666
chlorprothixene	HA1E	trt_cp	down	-0.2445685	0.0342699	0.2642023	-0.9226035	-42.92726	2241	-0.8706104	100	100	CHRM1; CHRM4; CHRM5; DRD1; DRD3; HRH1; HTR2B	Dopamine receptor antagonist	667467
BRD-A24054354	HA1E	trt_cp	down	-0.2439971	0.0363066	0.2758320	-0.9204480	-53.14592	2241	0.0000000	100	100	NA	NA	3516032
ABT-737	HA1E	trt_cp	down	-0.2437942	0.0363066	0.2758320	-0.9196826	-55.42169	2241	0.0000000	100	100	BAD; BCL2; BCL2L1; BCL2L2	BCL inhibitor	11228183
RS-79948	HA1E	trt_cp	down	-0.2437146	0.0363066	0.2758320	-0.9193822	-68.63008	2241	0.0000000	100	100	NA	Adrenergic receptor antagonist	9908992
tacrolimus	HA1E	trt_cp	down	-0.2435634	0.0363066	0.2758320	-0.9188118	-48.63900	2241	0.0000000	100	100	ABCB1; ABCG2; CYP3A5; CYP3A7; FKBP1A; FKBP2; FKBP4; IFNG; IL10; IL2; IL2RA; IL4; NFATC1; NFATC2; NFATC3; PPP3CA; PPP3CB; PPP3CC; PPP3R1; PPP3R2	Calcineurin inhibitor	24140138
BRD-K40224283	HA1E	trt_cp	down	-0.2432769	0.0384309	0.2883949	-0.9177310	-53.54752	2241	0.0000000	100	100	NA	NA	1409759
papaverine	HA1E	trt_cp	down	-0.2428787	0.0384309	0.2883949	-0.9162289	-61.26729	2241	-0.0274869	100	100	PDE10A; PDE4B; PDE5A	Phosphodiesterase inhibitor	6084
BRD-K78883024	HA1E	trt_cp	down	-0.2428212	0.0384309	0.2883949	-0.9160119	-69.79027	2241	-0.0183202	100	100	NA	NA	56643192
oxibendazole	HA1E	trt_cp	down	-0.2427662	0.0384309	0.2883949	-0.9158045	-51.18251	2241	0.0000000	100	100	TUBB; TUBB4B	Tubulin inhibitor	4622
BRD-K10436544	HA1E	trt_cp	down	-0.2417452	0.0406627	0.3008205	-0.9119528	-54.26149	2241	0.0000000	100	100	NA	NA	NotFound
JAS07-008	HA1E	trt_cp	down	-0.2417394	0.0406627	0.3008205	-0.9119312	-57.78670	2241	0.0000000	100	100	NA	NA	24747183
PQ-401	HA1E	trt_cp	down	-0.2397405	0.0454073	0.3144514	-0.9043905	-33.28871	2241	-1.1482777	100	100	IGF1R	IGF-1 inhibitor; IGF-1R inhibitor	9549305
thioridazine	HA1E	trt_cp	down	-0.2396659	0.0454073	0.3144514	-0.9041091	-51.67336	2241	-0.9927762	100	100	ADRA1A; ADRA1B; CHRNA7; DRD1; HRH1; HTR1E; HTR6; HTR7; KCNH2; MALT1	Dopamine receptor antagonist	5452
ICI-118551	HA1E	trt_cp	down	-0.2392703	0.0479389	0.3144514	-0.9026168	-61.57965	2241	-0.8132962	100	100	NA	Adrenergic receptor antagonist	5484725
eliprodil	HA1E	trt_cp	down	-0.2387250	0.0479389	0.3144514	-0.9005597	-64.92637	2241	-0.7759980	100	100	GRIN1; GRIN2B	Glutamate receptor antagonist	60703
LY-165163	HA1E	trt_cp	down	-0.2386274	0.0479389	0.3144514	-0.9001914	-42.61490	2241	0.0000000	100	100	HTR1D	Serotonin receptor antagonist	121930
butein	HA1E	trt_cp	down	-0.2373422	0.0532625	0.3144514	-0.8953432	-46.27398	2241	-0.0260836	100	100	ACE; CXCL8; IL6; SIRT1; SRD5A1; SRD5A2; TNF	EGFR inhibitor; SRC inhibitor	5281222
ZD-7114	HA1E	trt_cp	down	-0.2366116	0.0532625	0.3144514	-0.8925870	-56.26952	2241	0.0000000	100	100	ADRB3	Adrenergic receptor agonist	121877
fludroxycortide	HA1E	trt_cp	down	-0.2356176	0.0560729	0.3144514	-0.8888372	-54.21687	2241	-0.5759733	100	100	NR3C1; SERPINA6	Glucocorticoid receptor agonist	5702172
CFM-1571	HA1E	trt_cp	down	-0.2345798	0.0589969	0.3144514	-0.8849225	-53.94913	2241	-0.0265477	100	100	NA	Guanylate cyclase activator	9844347
flavokavain-b	HA1E	trt_cp	down	-0.2336046	0.0620255	0.3144514	-0.8812437	-46.05087	2241	-0.7630947	100	100	HIF1A	Antineoplastic	5356121
SA-89705	NKDBA	trt_cp	down	-0.2334192	0.0651636	0.3144514	-0.7830955	NA	229	-0.8207299	100	100	NA	NA	44487334
MDL-11939	HA1E	trt_cp	down	-0.2332323	0.0651636	0.3144514	-0.8798392	-50.29005	2241	-0.0175968	100	100	HTR2B	Serotonin receptor antagonist	71781
GBR-13069	HA1E	trt_cp	down	-0.2326045	0.0651636	0.3144514	-0.8774709	-46.27398	2241	-0.0229776	100	100	SLC6A3	Dopamine uptake inhibitor	5974189
KU-0060648	HA1E	trt_cp	down	-0.2324093	0.0684082	0.3144514	-0.8767343	-47.52343	2241	-1.1040864	100	100	PIK3CA; PIK3CB; PIK3CD; PIK3CG; PRKDC	DNA dependent protein kinase inhibitor; PI3K inhibitor	11964036
SB-408124	HA1E	trt_cp	down	-0.2320268	0.0684082	0.3144514	-0.8752916	-40.69612	2241	0.0000000	100	100	HCRTR1; HCRTR2	Orexin receptor antagonist	4331799
BRD-K42867405	HA1E	trt_cp	down	-0.2315096	0.0684082	0.3144514	-0.8733404	-50.82552	2241	-0.0174668	100	100	NA	NA	2482839
PSH-024	HA1E	trt_cp	down	-0.2310585	0.0717490	0.3144514	-0.8716388	-60.77644	2241	-0.6502514	100	100	NA	NA	24747169
picotamide	HA1E	trt_cp	down	-0.2309994	0.0717490	0.3144514	-0.8714159	-46.36323	2241	0.0000000	100	100	PPBP; TBXA2R; TBXAS1	Thromboxane receptor antagonist; Thromboxane synthase inhibitor	4814
imipramine	HA1E	trt_cp	down	-0.2306474	0.0717490	0.3144514	-0.8700881	-53.45828	2241	0.0000000	100	100	ADRA1A; ADRA1B; ADRA1D; CHRM1; CHRM4; CHRM5; DRD1; FMO1; HRH1; HTR6; HTR7; KCND2; KCND3; KCNH1; KCNH2; ORM2; SLC22A3; SLC6A2; SLC6A3; SLC6A4	Norepinephrine reuptake inhibitor; Serotonin reuptake inhibitor	3696
methotrexate	HA1E	trt_cp	down	-0.2301697	0.0751866	0.3144514	-0.8682858	-47.70192	2241	-0.9636239	100	100	ABCB1; ABCC2; ABCC3; ABCC4; ABCG2; AOX1; CRP; DHFR; FOLR1; FOLR2; FPGS; GGH; PDF; SLC19A1; SLC22A6; TYMS	Dihydrofolate reductase inhibitor	4112
BRD-K18761689	HA1E	trt_cp	down	-0.2290544	0.0787550	0.3144514	-0.8640785	-45.33690	2241	-0.0172816	100	100	NA	NA	24747340
brazilin	HA1E	trt_cp	down	-0.2288900	0.0787550	0.3144514	-0.8634583	-46.27398	2241	0.0000000	100	100	NA	Nitric oxide production inhibitor	73384
bendroflumethiazide	HA1E	trt_cp	down	-0.2285871	0.0787550	0.3144514	-0.8623158	-52.65506	2241	0.0000000	100	100	CA1; CA4; KCNMA1; SLC12A1; SLC12A3	Sodium/potassium/chloride transporter inhibitor	2315
ZK-93423	HA1E	trt_cp	down	-0.2285497	0.0787550	0.3144514	-0.8621746	-58.81303	2241	0.0000000	100	100	GABRA2; GABRA3; GABRA5; GABRB2; GABRG2	Benzodiazepine receptor agonist	121926
tyrphostin-B44	HA1E	trt_cp	down	-0.2268849	0.0861386	0.3144514	-0.8558942	-47.34494	2241	0.8716020	100	100	NA	EGFR inhibitor	23919058
robustic-acid	HA1E	trt_cp	down	-0.2265182	0.0861386	0.3144514	-0.8545111	-56.09103	2241	-0.0085451	100	100	NA	cAMP inhibitor	54677407
SA-90030	NKDBA	trt_cp	down	-0.2264391	0.0899926	0.3144514	-0.7596781	NA	229	-0.7921897	100	100	NA	NA	44484225
BRD-A56831909	HA1E	trt_cp	down	-0.2248404	0.0939448	0.3144514	-0.8481817	-50.29005	2241	-0.0140149	100	100	NA	NA	44142078
AZD-8055	HA1E	trt_cp	down	-0.2246943	0.0939448	0.3144514	-0.8476305	-48.50513	2241	-1.0740986	100	100	MTOR	MTOR inhibitor	25262965
GW-6471	HA1E	trt_cp	down	-0.2242934	0.0979693	0.3144514	-0.8461181	-49.39759	2241	0.0000000	100	100	PPARA	PPAR receptor antagonist	44634742
CDC	HA1E	trt_cp	down	-0.2240310	0.0979693	0.3144514	-0.8451285	-47.12182	2241	0.0000000	100	100	ALOX12; ALOX5	Lipoxygenase inhibitor	14840979
INCA-6	HA1E	trt_cp	down	-0.2240254	0.0979693	0.3144514	-0.8451071	-45.82776	2241	0.0000000	100	100	NFATC1	Calcineurin inhibitor	230748
CPCCOEt	HA1E	trt_cp	down	-0.2237090	0.0979693	0.3144514	-0.8439135	-60.91031	2241	0.0000000	100	100	GRM1	Glutamate receptor antagonist	6278000
BRD-K21640605	HA1E	trt_cp	down	-0.2235853	0.0979693	0.3144514	-0.8434472	-48.72825	2241	0.0000000	100	100	NA	NA	665093
hypericin	HA1E	trt_cp	down	-0.2235689	0.0979693	0.3144514	-0.8433851	-62.73985	2241	-0.7785518	100	100	GSTA1	Tyrosine kinase inhibitor	3663
BRD-K83589469	HA1E	trt_cp	down	-0.2234830	0.1020951	0.3144514	-0.8430611	-56.67113	2241	0.0000000	100	100	NA	NA	20969430
nicotine	HA1E	trt_cp	down	-0.2231750	0.1020951	0.3144514	-0.8418992	-52.52120	2241	-0.0168380	100	100	AOX1; CHAT; CHRNA1; CHRNA10; CHRNA2; CHRNA3; CHRNA4; CHRNA5; CHRNA6; CHRNA7; CHRNA9; CHRNB2; CHRNB3; CHRNB4; CHRND; CHRNE; CYP19A1; CYP2A6; CYP2B6; CYP2E1; CYP2U1; FMO1; FMO2; FMO3; FMO4; FMO5; FMO6P; FOS; INMT; PNMT; TBXAS1; TH; TRPA1; UGT1A4; UGT2B10; UGT2B11	Acetylcholine receptor agonist	89594
rimcazole	HA1E	trt_cp	down	-0.2229271	0.1020951	0.3144514	-0.8409640	-44.89067	2241	0.0000000	100	100	SIGMAR1	Sigma receptor antagonist	5072
SA-97259	NKDBA	trt_cp	down	-0.2227567	0.1020951	0.3144514	-0.7473240	NA	229	0.0000000	100	100	NA	NA	44500706
lovastatin	HA1E	trt_cp	down	-0.2225446	0.1020951	0.3144514	-0.8395210	-34.27041	2241	0.0000000	100	100	APOA1; APOB; CYP2C9; CYP3A5; HDAC2; HMGCR; ITGAL; LDLR; LMNA; NR1I2; RAF1; RASD1; RHOA; RHOB	HMGCR inhibitor	3565209
BRD-K63181962	HA1E	trt_cp	down	-0.2224817	0.1063172	0.3144514	-0.8392837	-52.20884	2241	-0.7756770	100	100	NA	NA	44142057
parachlorophenol	HA1E	trt_cp	down	-0.2220422	0.1063172	0.3144514	-0.8376257	-45.20303	2241	0.0000000	100	100	SCN4A	Anti-infective	4684
BRD-K37061750	HA1E	trt_cp	down	-0.2219437	0.1063172	0.3144514	-0.8372544	-60.59795	2241	0.0000000	100	100	NA	NA	3538139
hexylresorcinol	HA1E	trt_cp	down	-0.2218969	0.1063172	0.3144514	-0.8370777	-55.91254	2241	-0.0167416	100	100	TGM2; TOP1; TYR	Local anesthetic	3610
BRD-A98200599	HA1E	trt_cp	down	-0.2215234	0.1063172	0.3144514	-0.8356687	-44.26595	2241	0.0000000	100	100	NA	NA	570188
BRD-K70415218	HA1E	trt_cp	down	-0.2212241	0.1106222	0.3144514	-0.8345397	-43.86435	2241	0.0000000	100	100	NA	NA	24747177
BRD-K40577058	HA1E	trt_cp	down	-0.2210027	0.1106222	0.3144514	-0.8337044	-49.44221	2241	0.0000000	100	100	NA	NA	44142084
BMY-45778	HA1E	trt_cp	down	-0.2207504	0.1106222	0.3144514	-0.8327528	-40.24989	2241	-0.6977511	100	100	PTGIR	IP1 prostacyclin receptor agonist	127861
flumetasone	HA1E	trt_cp	down	-0.2199137	0.1150293	0.3144514	-0.8295965	-50.55779	2241	0.0000000	100	100	NR3C1; PLA2G1B	Glucocorticoid receptor agonist	5702178
cabergoline	HA1E	trt_cp	down	-0.2191880	0.1195050	0.3144514	-0.8268586	-29.45114	2241	0.0000000	100	100	ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; DRD1; DRD3; DRD4; HTR1B; HTR1D; HTR2B; HTR7; PRL	Dopamine receptor agonist	54746
GW-5074	HA1E	trt_cp	down	-0.2184294	0.1240573	0.3144514	-0.8239969	-39.22356	2241	0.0000000	100	100	LRRK1; LRRK2; NTRK1; RAF1	Leucine rich repeat kinase inhibitor; RAF inhibitor	5924208
mibefradil	HA1E	trt_cp	down	-0.2183963	0.1240573	0.3144514	-0.8238722	-39.17894	2241	-1.1823910	100	100	ANO1; CACNA1C; CACNA1D; CACNA1F; CACNA1G; CACNA1H; CACNA1I; CACNA1S; CACNB1; CACNB2; CACNB3; CACNB4; CATSPER1; CATSPER2; CATSPER3; CATSPER4; CYP3A5; CYP3A7; SCN2A; SCN4A; SCN5A; SCN9A	T-type calcium channel blocker	5230270
SA-1921085	NKDBA	trt_cp	down	-0.2178951	0.1240573	0.3144514	-0.7310139	NA	229	-0.5043996	100	100	NA	NA	54666595
FK-888	HA1E	trt_cp	down	-0.2178366	0.1240573	0.3144514	-0.8217608	-43.19500	2241	0.0000000	100	100	TACR1; TACR2	Tachykinin antagonist	107967
SA-440772	NKDBA	trt_cp	down	-0.2177178	0.1240573	0.3144514	-0.7304191	NA	229	-0.4893808	100	100	NA	NA	44495084
BRD-A74983348	HA1E	trt_cp	down	-0.2171893	0.1286736	0.3144514	-0.8193190	-59.61624	2241	-0.0155669	100	100	NA	NA	24747150
BRD-K25522720	HA1E	trt_cp	down	-0.2167114	0.1286736	0.3144514	-0.8175162	-40.82999	2241	0.0000000	100	100	NA	NA	1400698
ML-9	HA1E	trt_cp	down	-0.2165048	0.1286736	0.3144514	-0.8167368	-45.47077	2241	-0.8172525	100	100	MLCK; PKA; PKC; TRPC6	Myosin light chain kinase inhibitor	108047
zolmitriptan	HA1E	trt_cp	down	-0.2162126	0.1333588	0.3144514	-0.8156344	-40.56225	2241	0.0000000	100	100	HTR1B; HTR1D; HTR1E; HTR1F	Serotonin receptor agonist	60857
SB-222200	HA1E	trt_cp	down	-0.2161786	0.1333588	0.3144514	-0.8155060	-48.50513	2241	0.0000000	100	100	TACR3	Tachykinin antagonist	6604009
sildenafil	HA1E	trt_cp	down	-0.2159779	0.1333588	0.3144514	-0.8147491	-45.06917	2241	0.0000000	100	100	C1S; PDE11A; PDE5A; PDE6C; PDE6G; PDE6H; SLCO1B1; SLCO1B3	Phosphodiesterase inhibitor	5212
NSC-119889	HA1E	trt_cp	down	-0.2152674	0.1381184	0.3144514	-0.8120688	-54.75234	2241	-0.7568279	100	100	NA	Protein synthesis inhibitor	274104
BRD-K00863322	HA1E	trt_cp	down	-0.2145229	0.1381184	0.3144514	-0.8092601	-51.89647	2241	0.0000000	100	100	NA	NA	4675130
nitrendipine	HA1E	trt_cp	down	-0.2140744	0.1429115	0.3144514	-0.8075682	-45.82776	2241	0.0000000	100	100	CACNA1C; CACNA1D; CACNA1H; CACNA1S; CACNA2D1; CACNA2D2; CACNB2; CACNG1; KCNN4	Calcium channel blocker	4507
scopolamine	HA1E	trt_cp	down	-0.2136672	0.1429115	0.3144514	-0.8060322	-51.27175	2241	0.0000000	100	100	CHRM1; CHRM4; CHRM5; CHRNA4; CHRNB2; RELA; SI	Acetylcholine receptor antagonist	2837667
norethindrone	HA1E	trt_cp	down	-0.2133308	0.1477536	0.3144514	-0.8047634	-44.22133	2241	-0.0160953	100	100	PGR	Progesterone receptor agonist; Progestogen hormone	6230
SA-96816	NKDBA	trt_cp	down	-0.2130009	0.1477536	0.3144514	-0.7145943	NA	229	-0.4787782	100	100	NA	NA	44494782
tyrphostin-AG-18	HA1E	trt_cp	down	-0.2126061	0.1477536	0.3144514	-0.8020293	-34.44891	2241	0.0000000	100	100	EGFR	EGFR inhibitor; Tyrosine kinase inhibitor	NotFound
rimexolone	HA1E	trt_cp	down	-0.2124681	0.1526432	0.3144514	-0.8015088	-33.55645	2241	0.0000000	100	100	NR3C1; SERPINA6	Glucocorticoid receptor agonist	73707479
diazepam	HA1E	trt_cp	down	-0.2112148	0.1575604	0.3144514	-0.7967809	-50.91477	2241	0.0000000	100	100	ABAT; ADRA1A; DBI; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ; GABRR1; GABRR2; GABRR3; TSPO	Benzodiazepine receptor agonist	3016
asiatic-acid	HA1E	trt_cp	down	-0.2109957	0.1575604	0.3144514	-0.7959544	-44.80143	2241	0.0000000	100	100	PYGM	Apoptosis stimulant	119034
phosphodiesterase-V-inhibitor-II	HA1E	trt_cp	down	-0.2104586	0.1625104	0.3144514	-0.7939284	-41.90094	2241	0.0000000	100	100	PDE5A	Phosphodiesterase inhibitor	11003969
amisulpride	HA1E	trt_cp	down	-0.2098837	0.1625104	0.3144514	-0.7917597	-48.28202	2241	-0.0158352	100	100	DRD3; HTR7	Dopamine receptor antagonist	2159
bisindolylmaleimide	HA1E	trt_cp	down	-0.2097078	0.1625104	0.3144514	-0.7910959	-35.78759	2241	-0.9629333	100	100	CCND1; CDK4; LRRK2; PIM1; PRKCA; PRKCB; PRKCI; PRKCZ	CDK inhibitor	NotFound
BRD-K39345836	HA1E	trt_cp	down	-0.2087498	0.1674784	0.3144514	-0.7874821	-40.78536	2241	-0.0157496	100	100	NA	NA	2432214
hydrocortisone-phosphate	HA1E	trt_cp	down	-0.2082415	0.1724645	0.3144514	-0.7855645	-34.80589	2241	-0.0157113	100	100	NA	NA	441407
nefopam	HA1E	trt_cp	down	-0.2063365	0.1824439	0.3144514	-0.7783780	-38.33110	2241	0.0000000	100	100	NA	Cyclooxygenase inhibitor	155290
erythromycin-ethylsuccinate	HA1E	trt_cp	down	-0.2038791	0.1923823	0.3144514	-0.7691078	-40.42838	2241	-0.6902908	100	100	NA	NA	443953
megestrol	HA1E	trt_cp	down	-0.2036536	0.1923823	0.3144514	-0.7682573	-42.03481	2241	0.0000000	100	100	PGR	progesterone receptor agonist; Progesterone receptor agonist	73707408
GR-127935	HA1E	trt_cp	down	-0.2036126	0.1923823	0.3144514	-0.7681026	-25.61357	2241	-0.7752100	100	100	HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR6	Serotonin receptor antagonist	107780
BRD-K75644678	HA1E	trt_cp	down	-0.2035097	0.1923823	0.3144514	-0.7677142	-43.41812	2241	0.0000000	100	100	NA	NA	23640021
BRD-K13146765	HA1E	trt_cp	down	-0.2030006	0.1973085	0.3144514	-0.7657940	-35.51986	2241	-0.6229643	100	100	NA	NA	25199536
monoethylhexylphthalate	HA1E	trt_cp	down	-0.2017552	0.2022059	0.3144514	-0.7610959	-26.77376	2241	-0.7610959	100	100	NA	NA	20393
etifenin	HA1E	trt_cp	down	-0.1990506	0.2166037	0.3144514	-0.7508931	-29.18340	2241	0.0000000	100	100	NA	Compound used in hepatobiliary scans of the liver	170344
pyrazolanthrone	HA1E	trt_cp	down	-0.1988263	0.2166037	0.3144514	-0.7500470	-31.41455	2241	0.0000000	100	100	LRRK2; MAPK10; MAPK8; MAPK8IP1; MAPK9; TTK	JNK inhibitor	8515
azaperone	HA1E	trt_cp	down	-0.1979186	0.2213004	0.3144514	-0.7466226	-31.95002	2241	0.0000000	100	100	DRD3	Dopamine receptor antagonist	15443
dihydrosamidin	HA1E	trt_cp	down	-0.1978227	0.2213004	0.3144514	-0.7462610	-35.47523	2241	0.0000000	100	100	NA	Nitric oxide production inhibitor; Phospholipase inhibitor; Platelet activating factor receptor antagonist	442128
BRD-K17203693	HA1E	trt_cp	down	-0.1960251	0.2304177	0.3144514	-0.7394798	-42.92726	2241	-0.2588179	100	100	NA	NA	44142072
ichthynone	HA1E	trt_cp	down	-0.1959190	0.2304177	0.3144514	-0.7390795	-37.92950	2241	0.0000000	100	100	NA	NA	3428129
KU-C103443N	HA1E	trt_cp	down	-0.1957539	0.2304177	0.3144514	-0.7384566	-28.78179	2241	-0.6348327	100	100	NA	CDC inhibitor; Rho associated kinase inhibitor	13927312
hydrastine-(1r,-9s)	HA1E	trt_cp	down	-0.1956108	0.2304177	0.3144514	-0.7379168	-33.02097	2241	0.0000000	100	100	NA	NA	197834
SA-90471	NKDBA	trt_cp	down	-0.1953920	0.2348545	0.3144514	-0.6555185	NA	229	-0.4391974	100	100	NA	NA	44492894
haloperidol	HA1E	trt_cp	down	-0.1948727	0.2348545	0.3144514	-0.7351323	-41.99018	2241	-0.0147026	100	100	ADCY10; AKR1C1; APITD1-CORT; CYP3A7; DCXR; DRD1; DRD3; DRD4; FOS; GAD1; GRIN1; GRIN2B; HRH1; HTR1D; HTR2B; HTR7; KCNH1; MCHR1; PENK; SLC18A2; TH	Dopamine receptor antagonist; Psychoactive drug	3559
BRD-K45355657	HA1E	trt_cp	down	-0.1945695	0.2348545	0.3144514	-0.7339887	-26.55065	2241	0.0000000	100	100	NA	NA	23648024
BRD-K39208132	HA1E	trt_cp	down	-0.1940580	0.2391936	0.3144514	-0.7320591	-32.12851	2241	0.0196244	100	100	NA	NA	963514
HTMT	HA1E	trt_cp	down	-0.1932683	0.2434283	0.3144514	-0.7290800	-43.06113	2241	-0.0145816	100	100	HRH4	Histamine receptor agonist	124846
gelsemine	HA1E	trt_cp	down	-0.1923660	0.2475593	0.3144514	-0.7256761	-35.38599	2241	0.0000000	100	100	GLRA3	Acetylcholine receptor antagonist; Glycine receptor antagonist	5390854
H-8	HA1E	trt_cp	down	-0.1919182	0.2475593	0.3144514	-0.7239868	-32.79786	2241	0.0000000	100	100	PKIA; PRKACA	PKA inhibitor	3540
BRD-K46170844	HA1E	trt_cp	down	-0.1917366	0.2475593	0.3144514	-0.7233020	-36.54618	2241	-0.0144660	100	100	NA	NA	44142118
pizotifen	HA1E	trt_cp	down	-0.1911720	0.2515630	0.3144514	-0.7211718	-31.19143	2241	0.0000000	100	100	ADRA1B; ADRA1D; ADRA2B; ADRA2C; HTR1B; HTR1D; HTR2B	Serotonin receptor antagonist	27400
loperamide	HA1E	trt_cp	down	-0.1907205	0.2515630	0.3144514	-0.7194687	-29.71888	2241	0.0000000	100	100	CACNA1A; CALM1; CALM2; CALM3; CYP2B6; CYP2C8; NPR2; NR1I3; OPRD1; OPRK1; OPRM1; POMC	Opioid receptor agonist	71420
BRD-K44878494	HA1E	trt_cp	down	-0.1895764	0.2554585	0.3144514	-0.7151529	-37.12628	2241	0.0196411	100	100	NA	NA	24747232
r(-)-propylnorapomorphine	HA1E	trt_cp	down	-0.1887135	0.2592165	0.3144514	-0.7118977	-32.88710	2241	0.0243481	100	100	DRD1; DRD3	Dopamine receptor agonist; TRPA1 modulator	NotFound
GBR-12783	HA1E	trt_cp	down	-0.1879716	0.2628384	0.3144514	-0.7090990	-29.94199	2241	0.0000000	100	100	NA	Dopamine uptake inhibitor	5788723
SA-1480001	NKDBA	trt_cp	down	-0.1871961	0.2663461	0.3144514	-0.6280220	NA	229	-0.4207747	100	100	NA	NA	54654441
dilazep	HA1E	trt_cp	down	-0.1855036	0.2697161	0.3144514	-0.6997887	-32.35163	2241	-0.8239155	100	100	CACNA1C; SLC29A1	Adenosine reuptake inhibitor	3074
ozagrel	HA1E	trt_cp	down	-0.1848292	0.2729519	0.3144514	-0.6972447	-25.56894	2241	0.0000000	100	100	TBXAS1	Thromboxane synthase inhibitor	5282440
L-693403	HA1E	trt_cp	down	-0.1840769	0.2760193	0.3144514	-0.6944066	-25.43507	2241	0.0000000	100	100	SIGMAR1	Sigma receptor agonist; Sigma receptor antagonist	4687238
pirlindole	HA1E	trt_cp	down	-0.1822523	0.2817278	0.3144514	-0.6875236	-36.01071	2241	0.0000000	100	100	MAOA; SLC6A2; SLC6A4	Monoamine oxidase inhibitor	68802
SR-95639A	HA1E	trt_cp	down	-0.1809623	0.2843721	0.3144514	-0.6826573	-16.95672	2241	0.0000000	100	100	CHRM1	Acetylcholine receptor agonist	195165
BRD-K23673040	HA1E	trt_cp	down	-0.1795827	0.2868615	0.3144514	-0.6774529	-31.05756	2241	-1.1422602	100	100	NA	NA	690299
rosuvastatin	HA1E	trt_cp	down	-0.1786461	0.2892208	0.3144514	-0.6739196	-26.72914	2241	0.0000000	100	100	APOB; CRP; HMGCR; SLCO1B1	HMGCR inhibitor	446157
lidoflazine	HA1E	trt_cp	down	-0.1777332	0.2914100	0.3144514	-0.6704757	-30.96832	2241	0.0000000	100	100	SCN1A; SCN3A; SLC29A1	Calcium channel blocker	3926
BRD-K30381384	HA1E	trt_cp	down	-0.1766928	0.2934791	0.3144514	-0.6665510	-24.63186	2241	-0.0133310	100	100	NA	NA	6619100
pinacidil	HA1E	trt_cp	down	-0.1736816	0.2988981	0.3144514	-0.6551915	-39.40205	2241	0.0000000	100	100	ABCC8; ABCC9; KCNJ11; KCNJ8	ATP channel activator; Potassium channel activator	4826
metergoline	HA1E	trt_cp	down	-0.1733894	0.3004404	0.3144514	-0.6540893	-30.83445	2241	0.0000000	100	100	HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR5A; HTR6; HTR7; SCN2A	Dopamine receptor agonist; Serotonin receptor antagonist	28693
BRD-K75315865	HA1E	trt_cp	down	-0.1723383	0.3018747	0.3144514	-0.6501244	-31.86078	2241	-0.0130025	100	100	NA	NA	44825304
tetramisole	HA1E	trt_cp	down	-0.1706691	0.3031937	0.3144514	-0.6438273	-30.78983	2241	0.0000000	100	100	NA	Immunostimulant	3913
CGS-15943	NKDBA	trt_cp	down	-0.1654396	0.3089922	0.3144514	-0.5550314	NA	229	-0.9132141	100	100	ADORA1; ADORA2A; ADORA2B; ADORA3	Adenosine receptor antagonist	2690
prothionamide	HA1E	trt_cp	down	-0.1653872	0.3089922	0.3144514	-0.6239022	-27.71084	2241	0.0000000	100	100	NA	Mycobacterium tuberculosis enoyl-[acyl-carrier-protein] reductase [NADH] (inhA) inhibitor	666418
profenamine	HA1E	trt_cp	down	-0.1643892	0.3096622	0.3144514	-0.6201373	-28.51406	2241	0.0131797	100	100	BCHE; CHRM1; GRIN3A	Butyrylcholinesterase inhibitor; Cholinergic receptor antagonist	3290
KN-93	HA1E	trt_cp	down	-0.1642826	0.3096622	0.3144514	-0.6197351	-27.39848	2241	-0.6286324	100	100	CAMK2A	Calcium-calmodulin dependent protein kinase inhibitor	5312122
tramadol	HA1E	trt_cp	down	-0.1634093	0.3102623	0.3144514	-0.6164407	-28.64793	2241	0.0000000	100	100	CYP2B6; GRIN3A; OPRD1; OPRK1; OPRM1; SLC6A2; SLC6A4	Norepinephrine reuptake inhibitor; Opioid receptor agonist; Serotonin reuptake inhibitor	33741

GSE69556

Load in top up and down DEGs

hom_56_UP <- read.csv(here("res", "deseq2_outputs", "GSE69556_degs_UP_220421.csv"))
hom_56_DOWN <- read.csv(here("res", "deseq2_outputs", "GSE69556_degs_DOWN_220421.csv"))

Run signatureSearch, filter for kidney cell lines

gess_kidneycells_56 <- ssRun(upgenes = as.character(hom_56_UP$entrezgene_id), downgenes = as.character(hom_56_DOWN$entrezgene_id), cells = "kidney")

## 103 / 103 genes in up set share identifiers with reference database

## 100 / 100 genes in down set share identifiers with reference database

Visualize Top 20

gess_res_vis(gess_kidneycells_56, drugs = unique(gess_kidneycells_56$pert)[1:20], col = "WTCS")

knitr::kable(gess_kidneycells_56, col.names = colnames(gess_kidneycells_56))

pert	cell	type	trend	WTCS	WTCS_Pval	WTCS_FDR	NCS	Tau	TauRefSize	NCSct	N_upset	N_downset	t_gn_sym	MOAss	PCIDss
KU-0060648	HA1E	trt_cp	down	-0.4242836	0.0000251	0.0012156	-1.5639792	-94.86836	2241	0.0000000	103	100	PIK3CA; PIK3CB; PIK3CD; PIK3CG; PRKDC	DNA dependent protein kinase inhibitor; PI3K inhibitor	11964036
thiotepa	HA1E	trt_cp	down	-0.4221439	0.0000252	0.0012156	-1.5560919	-99.50915	2241	0.0000000	103	100	CYP2B6	Cytochrome P450 inhibitor	5453
PSH-024	HA1E	trt_cp	down	-0.4186067	0.0000253	0.0012156	-1.5430531	-98.88443	2241	-0.0173257	103	100	NA	NA	24747169
phenoxybenzamine	HA1E	trt_cp	down	-0.3955998	0.0000263	0.0012156	-1.4582461	-98.30433	2241	0.0000000	103	100	ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB2; CALM1; CALM2; CALM3	Adrenergic receptor antagonist	5284441
ML-9	HA1E	trt_cp	down	-0.3934977	0.0000264	0.0012156	-1.4504973	-98.97367	2241	0.0000000	103	100	MLCK; PKA; PKC; TRPC6	Myosin light chain kinase inhibitor	108047
methylnorlichexanthone	HA1E	trt_cp	down	-0.3904145	0.0000265	0.0012156	-1.4391320	-98.08121	2241	-0.0143913	103	100	AURKB; KDR; PIM1	Aurora kinase inhibitor; PIM inhibitor; VEGFR inhibitor	5377914
ivachtin	HA1E	trt_cp	down	-0.3902934	0.0000265	0.0012156	-1.4386858	-90.67381	2241	0.0000000	103	100	CASP3	Caspase inhibitor	11201705
SA-1472734	NKDBA	trt_cp	down	-0.3892326	0.0000266	0.0012156	-1.5720156	NA	229	-1.0532504	103	100	NA	NA	54654437
IB-MECA	HA1E	trt_cp	down	-0.3814071	0.0000269	0.0012156	-1.4059295	-97.14413	2241	0.0000000	103	100	ADORA1; ADORA2A; ADORA2B; ADORA3	Adenosine receptor agonist	3668
bendroflumethiazide	HA1E	trt_cp	down	-0.3810532	0.0000269	0.0012156	-1.4046247	-98.30433	2241	0.0000000	103	100	CA1; CA4; KCNMA1; SLC12A1; SLC12A3	Sodium/potassium/chloride transporter inhibitor	2315
AM-251	HA1E	trt_cp	down	-0.3801979	0.0000270	0.0012156	-1.4014721	-96.87639	2241	0.0000000	103	100	CNR1; GPR18; GPR55	Cannabinoid receptor antagonist	2125
carbofuran	HA1E	trt_cp	down	-0.3774098	0.0000271	0.0012156	-1.3911945	-96.92102	2241	-0.0241251	103	100	NA	Cholinesterase inhibitor	2566
NSC-23766	HA1E	trt_cp	down	-0.3761821	0.0000272	0.0012156	-1.3866693	-98.17046	2241	0.0000000	103	100	NA	Ras GTPase inhibitor	409805
MD-920	HA1E	trt_cp	down	-0.3761174	0.0000272	0.0012156	-1.3864308	-95.35921	2241	-0.0205228	103	100	NA	NA	6466
KB-R7943	HA1E	trt_cp	down	-0.3753981	0.0000272	0.0012156	-1.3837791	-92.23561	2241	0.0000000	103	100	SLC8A1; TRPC3; TRPC5; TRPC6	Sodium/calcium exchange inhibitor	4534086
tetrahydrozoline	HA1E	trt_cp	down	-0.3750877	0.0000272	0.0012156	-1.3826349	-95.09148	2241	-0.0161708	103	100	NA	NA	5419
diazepam	HA1E	trt_cp	down	-0.3749360	0.0000272	0.0012156	-1.3820757	-96.34092	2241	-0.3247843	103	100	ABAT; ADRA1A; DBI; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ; GABRR1; GABRR2; GABRR3; TSPO	Benzodiazepine receptor agonist	3016
dihydrexidine	HA1E	trt_cp	down	-0.3706376	0.0000274	0.0012156	-1.3662311	-98.48282	2241	-0.8790632	103	100	DRD1; DRD3; DRD4	Dopamine receptor agonist	5311070
BRD-K49814456	HA1E	trt_cp	down	-0.3683040	0.0000275	0.0012156	-1.3576292	-96.87639	2241	-0.0149870	103	100	NA	NA	1737777
carteolol	HA1E	trt_cp	down	-0.3670381	0.0000275	0.0012156	-1.3529629	-94.02053	2241	0.0000000	103	100	ADRB1; ADRB2	Adrenergic receptor antagonist	2583
bicalutamide	HA1E	trt_cp	down	-0.3666663	0.0000275	0.0012156	-1.3515923	-93.79741	2241	-0.9591785	103	100	AR; CYP46A1; KLK3	Androgen receptor antagonist	2375
LY-344864	HA1E	trt_cp	down	-0.3660596	0.0000276	0.0012156	-1.3493560	-96.74253	2241	0.0000000	103	100	HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR7	Serotonin receptor agonist	5311097
aminoglutethimide	HA1E	trt_cp	down	-0.3656273	0.0000276	0.0012156	-1.3477623	-96.65328	2241	-0.0226518	103	100	CYP11A1; CYP19A1; NR3C1	Glucocorticoid receptor antagonist	2145
etilefrine	HA1E	trt_cp	down	-0.3636021	0.0000277	0.0012156	-1.3402973	-95.58233	2241	0.0000000	103	100	ADRA1A; ADRB1	Adrenergic receptor agonist	3306
pizotifen	HA1E	trt_cp	down	-0.3627148	0.0000278	0.0012156	-1.3370266	-90.31682	2241	0.0000000	103	100	ADRA1B; ADRA1D; ADRA2B; ADRA2C; HTR1B; HTR1D; HTR2B	Serotonin receptor antagonist	27400
ZM-241385	HA1E	trt_cp	down	-0.3612981	0.0000279	0.0012156	-1.3318043	-93.48505	2241	-0.7109558	103	100	ADORA1; ADORA2A; ADORA2B; ADORA3	Adenosine receptor antagonist	176407
BRD-K42867405	HA1E	trt_cp	down	-0.3585183	0.0000279	0.0012156	-1.3215575	-96.25167	2241	-1.1963927	103	100	NA	NA	2482839
BRL-37344	HA1E	trt_cp	down	-0.3547009	0.0000283	0.0012156	-1.3074860	-94.51138	2241	-0.0269097	103	100	ADRB1; ADRB2; ADRB3	Adrenergic receptor agonist	9841972
BRD-K87964538	HA1E	trt_cp	down	-0.3540805	0.0000284	0.0012156	-1.3051991	-96.25167	2241	-0.0181829	103	100	NA	NA	665518
raloxifene	HA1E	trt_cp	down	-0.3518824	0.0000287	0.0012156	-1.2970966	-95.76082	2241	0.0000000	103	100	ACVRL1; AOX1; BGLAP; EBP; ENG; ESR1; ESR2; PTGR1; RAC1; SERPINB9; SHBG; TFF1	Estrogen receptor antagonist; Selective estrogen receptor modulator (SERM)	5035
pifithrin-mu	HA1E	trt_cp	down	-0.3507062	0.0000289	0.0012156	-1.2927606	-87.72869	2241	0.0000000	103	100	HSPA1A; TP53	HSP inhibitor	327653
sulfafurazole	HA1E	trt_cp	down	-0.3488846	0.0000294	0.0012156	-1.2860461	-83.44489	2241	0.0000000	103	100	NA	Bacterial antifolate	5344
BRD-K78716413	HA1E	trt_cp	down	-0.3468339	0.0000299	0.0012156	-1.2784869	-93.84203	2241	0.0000000	103	100	NA	NA	952391
calcipotriol	HA1E	trt_cp	down	-0.3376940	0.0000352	0.0012347	-1.2447955	-88.44266	2241	0.0000000	103	100	BGLAP; GC; VDR	Vitamin D receptor agonist	5353464
ICI-204448	HA1E	trt_cp	down	-0.3353956	0.0000391	0.0012623	-1.2363234	-77.86702	2241	-0.0247265	103	100	OPRK1	Opioid receptor agonist	3683
E-4031	HA1E	trt_cp	down	-0.3352147	0.0000391	0.0012623	-1.2356566	-94.19902	2241	0.0000000	103	100	KCNH1; KCNH2	Potassium channel blocker	3185
UCL-2077	HA1E	trt_cp	down	-0.3347373	0.0000391	0.0012623	-1.2338966	-88.21954	2241	-0.0275458	103	100	NA	Slow after hyperpolarization channel blocker	24868317
ML-3163	HA1E	trt_cp	down	-0.3332825	0.0000420	0.0012897	-1.2285341	-94.64525	2241	0.0000000	103	100	CYP2D6; CYP3A4; MAPK11; MAPK12; MAPK14	p38 MAPK inhibitor	23748533
RU-28318	HA1E	trt_cp	down	-0.3324965	0.0000438	0.0013031	-1.2256369	-94.10977	2241	-0.0174377	103	100	NR3C2	Cytochrome P450 inhibitor	3034004
PETCM	HA1E	trt_cp	down	-0.3319639	0.0000438	0.0013031	-1.2236735	-90.89692	2241	0.0000000	103	100	CASP3	Caspase activator	224859
TPCA-1	HA1E	trt_cp	down	-0.3312312	0.0000458	0.0013384	-1.2209725	-85.18519	2241	0.0000000	103	100	CDC42BPB; EPHB1; IKBKB; MAP3K9; NTRK3; NUAK1; RET; TNK2; TYK2	IKK inhibitor	9903786
JAS07-003	HA1E	trt_cp	down	-0.3299405	0.0000480	0.0013716	-1.2162149	-91.12004	2241	-0.0227555	103	100	NA	NA	24747274
ergometrine	HA1E	trt_cp	down	-0.3291657	0.0000503	0.0014119	-1.2133590	-72.11066	2241	0.0000000	103	100	ADRA1A; HTR1E	Adrenergic receptor agonist; Serotonin receptor agonist	3250
BRD-K37061750	HA1E	trt_cp	down	-0.3281776	0.0000531	0.0014509	-1.2097167	-94.91299	2241	0.0000000	103	100	NA	NA	3538139
tamoxifen	HA1E	trt_cp	down	-0.3270534	0.0000560	0.0015035	-1.2055727	-82.68630	2241	0.0000000	103	100	ABCB1; ABCG2; AR; BGLAP; CCND1; CTSD; CYP2C9; CYP3A5; EBP; EBPL; ERBB2; ESR1; ESR2; ESRRG; FMO1; FMO2; FMO3; FMO4; FMO5; GPER1; IGFBP5; KCNH2; NCOR1; NCOR2; NR1I2; ODC1; PRKCA; PRKCB; PRKCE; PRKCG; PRKCI; PRKCZ; SHBG; TGFA; UGT1A4	Estrogen receptor antagonist; Selective estrogen receptor modulator (SERM)	2733526
R-96544	HA1E	trt_cp	down	-0.3266901	0.0000560	0.0015035	-1.2042335	-83.71263	2241	0.0000000	103	100	NA	Serotonin receptor antagonist	10668211
catechin	HA1E	trt_cp	down	-0.3258462	0.0000594	0.0015608	-1.2011229	-90.18295	2241	0.0000000	103	100	BACE1; CA1; CA12; CA14; CA4; CA6; CA9; FASN; SCN5A	Beta secretase inhibitor; Fatty acid synthase inhibitor; LDL antioxidant	73160
nitrofural	HA1E	trt_cp	down	-0.3246671	0.0000629	0.0016127	-1.1967763	-92.28023	2241	0.0181164	103	100	NA	Bacterial DNA inhibitor	5447130
BRD-K76211160	HA1E	trt_cp	down	-0.3241409	0.0000671	0.0016769	-1.1948366	-93.12807	2241	0.0000000	103	100	NA	NA	1118253
DR-2313	HA1E	trt_cp	down	-0.3225363	0.0000720	0.0017599	-1.1889219	-90.67381	2241	0.0323535	103	100	PARP1; PARP3	PARP inhibitor	135522417
U-18666A	HA1E	trt_cp	down	-0.3187399	0.0000960	0.0021658	-1.1749277	-70.86122	2241	0.0285316	103	100	NA	Oxidosqualene cyclase inhibitor	415541
L-693403	HA1E	trt_cp	down	-0.3165147	0.0001118	0.0024085	-1.1667254	-83.35564	2241	0.0000000	103	100	SIGMAR1	Sigma receptor agonist; Sigma receptor antagonist	4687238
mepacrine	HA1E	trt_cp	down	-0.3159070	0.0001218	0.0025678	-1.1644850	-85.36368	2241	0.0000000	103	100	AKT1; MTOR; NFKB1; PLA2G1B; PLA2G2A; PLA2G2D; PLA2G4A; PLA2G6; PLCL1; TP53	Cytokine production inhibitor; NFkB pathway inhibitor; TP53 activator	237
SKI-II	HA1E	trt_cp	down	-0.3157633	0.0001218	0.0025678	-1.1639554	-76.92994	2241	0.0000000	103	100	SPHK1	NA	753704
SR-142948	HA1E	trt_cp	down	-0.3157039	0.0001218	0.0025678	-1.1637365	-80.72289	2241	0.0000000	103	100	NTSR1	Neurotensin receptor antagonist	5311451
rosuvastatin	HA1E	trt_cp	down	-0.3156927	0.0001218	0.0025678	-1.1636950	-74.43106	2241	-0.0269258	103	100	APOB; CRP; HMGCR; SLCO1B1	HMGCR inhibitor	446157
ceramide	HA1E	trt_cp	down	-0.3155460	0.0001218	0.0025678	-1.1631543	-91.47702	2241	0.0000000	103	100	NA	Phosphoenolpyruvate carboxylase activator; Serine/threonine protein phosphatase activator	NotFound
fipronil	HA1E	trt_cp	down	-0.3150138	0.0001317	0.0027326	-1.1611928	-91.96787	2241	0.0000000	103	100	GABRB3	Chloride channel blocker; GABA gated chloride channel blocker	3352
nadolol	HA1E	trt_cp	down	-0.3142591	0.0001429	0.0028958	-1.1584106	-86.03302	2241	-1.0521370	103	100	ADRB1; ADRB2; ADRB3	Adrenergic receptor antagonist	39147
SC-68376	HA1E	trt_cp	down	-0.3142110	0.0001429	0.0028958	-1.1582335	-85.67604	2241	0.0000000	103	100	MAPK14	p38 MAPK inhibitor	5174
warfarin	HA1E	trt_cp	down	-0.3125361	0.0001554	0.0030899	-1.1520593	-92.23561	2241	0.0000000	103	100	ARSE; CYP2C8; CYP2C9; CYP4F2; F3; F7; NR1I2; PROS1; RP11-196G11.1; VKORC1; VKORC1L1	Vitamin K antagonist	54678486
PKCbeta-inhibitor	HA1E	trt_cp	down	-0.3103542	0.0002002	0.0037723	-1.1440165	-75.99286	2241	0.0000000	103	100	PRKCB	PKC inhibitor	6419755
CITCO	HA1E	trt_cp	down	-0.3100727	0.0002002	0.0037723	-1.1429788	-82.86479	2241	0.0000000	103	100	NR1I3	CAR agonist	9600409
moexipril	HA1E	trt_cp	down	-0.3091853	0.0002197	0.0040606	-1.1397079	-73.49398	2241	-0.9762176	103	100	ACE; ACE2	ACE inhibitor	91270
PD-123319	HA1E	trt_cp	down	-0.3090261	0.0002197	0.0040606	-1.1391209	-89.11200	2241	0.0000000	103	100	AGTR2	Angiotensin receptor antagonist	4701
diloxanide	HA1E	trt_cp	down	-0.3082860	0.0002402	0.0043618	-1.1363929	-92.81571	2241	0.0000000	103	100	NA	Protein synthesis inhibitor	11367
N20C	HA1E	trt_cp	down	-0.3078178	0.0002402	0.0043618	-1.1346669	-71.48594	2241	-0.7065854	103	100	NA	NA	6603827
melperone	HA1E	trt_cp	down	-0.3062873	0.0002885	0.0050772	-1.1290254	-78.00089	2241	0.0000000	103	100	NA	Dopamine receptor antagonist; Serotonin receptor antagonist	15387
ICI-118551	HA1E	trt_cp	down	-0.3057012	0.0002885	0.0050772	-1.1268650	-84.73896	2241	0.0000000	103	100	NA	Adrenergic receptor antagonist	5484725
DMeOB	HA1E	trt_cp	down	-0.3056999	0.0002885	0.0050772	-1.1268601	-72.28916	2241	0.0000000	103	100	NA	NA	6891506
CHEMBL-374350	HA1E	trt_cp	down	-0.3051800	0.0003168	0.0054728	-1.1249439	-73.89558	2241	0.0000000	103	100	NA	NFkB pathway inhibitor	2858523
leucodin	HA1E	trt_cp	down	-0.3038665	0.0003477	0.0059005	-1.1201018	-86.30076	2241	-1.1226310	103	100	NA	Melanin inhibitor	167683
luzindole	HA1E	trt_cp	down	-0.3037877	0.0003477	0.0059005	-1.1198115	-86.56850	2241	0.0000000	103	100	MTNR1A; MTNR1B	Melatonin receptor antagonist	122162
atorvastatin	HA1E	trt_cp	down	-0.3035556	0.0003477	0.0059005	-1.1189558	-73.09237	2241	-0.6734782	103	100	AHR; APOA1; APOB; APOE; CCL2; CD40LG; CETP; CRP; CYP3A5; DPP4; FASLG; HMGCR; IL6; LDLR; LPL; MTTP; PON1; RHOA; SERPINE1; SLCO1B1; VCAM1	HMGCR inhibitor	2250
UNC-0321	HA1E	trt_cp	down	-0.3031101	0.0003811	0.0063566	-1.1173136	-88.21954	2241	0.0000000	103	100	EHMT2	Histone lysine methyltransferase inhibitor	46901937
lawsone	HA1E	trt_cp	down	-0.3023669	0.0004167	0.0068248	-1.1145741	-80.58902	2241	0.0000000	103	100	NA	Coloring agent	10125107
dihydrodeoxygedunin	HA1E	trt_cp	down	-0.3012000	0.0004571	0.0073269	-1.1102729	-74.02945	2241	0.0000000	103	100	NTRK2	Growth factor receptor activator	6708636
ZD-7114	HA1E	trt_cp	down	-0.3010140	0.0004571	0.0073269	-1.1095871	-81.25837	2241	0.0202465	103	100	ADRB3	Adrenergic receptor agonist	121877
SC-560	HA1E	trt_cp	down	-0.3005120	0.0004571	0.0073269	-1.1077368	-73.94021	2241	0.0000000	103	100	NA	Cyclooxygenase inhibitor	4306515
tetrabenazine	HA1E	trt_cp	down	-0.3002455	0.0005021	0.0079110	-1.1067543	-83.22178	2241	0.0000000	103	100	SLC18A1; SLC18A2	Vesicular monoamine transporter inhibitor	6018
BRD-K21001652	HA1E	trt_cp	down	-0.2989836	0.0005486	0.0085083	-1.1021026	-83.04328	2241	-0.6517460	103	100	NA	NA	54636786
quercetagetin	HA1E	trt_cp	down	-0.2986488	0.0005486	0.0085083	-1.1008684	-80.05355	2241	-1.0603397	103	100	MAPK8; PIM1	PIM inhibitor	386331
U-54494A	HA1E	trt_cp	down	-0.2983401	0.0006023	0.0091565	-1.0997309	-88.71040	2241	0.0000000	103	100	NA	Opioid receptor agonist	122015
MRS-1845	HA1E	trt_cp	down	-0.2973108	0.0006601	0.0098458	-1.0959366	-84.78358	2241	0.0000000	103	100	ORAI1	Calcium channel blocker	5202074
PIT	HA1E	trt_cp	down	-0.2970664	0.0006601	0.0098458	-1.0950355	-61.26729	2241	0.0000000	103	100	P2RY1	Purinergic receptor antagonist	124334
BRD-K98297262	HA1E	trt_cp	down	-0.2967489	0.0006601	0.0098458	-1.0938654	-82.55243	2241	0.0000000	103	100	NA	NA	NotFound
tyrphostin-AG-835	HA1E	trt_cp	down	-0.2966031	0.0006601	0.0098458	-1.0933277	-65.77421	2241	-0.0294218	103	100	EGFR	Protein tyrosine kinase inhibitor	5328769
WAY-213613	HA1E	trt_cp	down	-0.2965904	0.0006601	0.0098458	-1.0932809	-76.92994	2241	0.0000000	103	100	SLC1A2	Glutamate inhibitor	24868316
BMS-641988	HA1E	trt_cp	down	-0.2959943	0.0007223	0.0105304	-1.0910836	-79.29496	2241	-0.9916484	103	100	AR	Androgen receptor antagonist	24768935
auraptene	HA1E	trt_cp	down	-0.2959305	0.0007223	0.0105304	-1.0908486	-79.47345	2241	0.0000000	103	100	MAOB	Nitric oxide production inhibitor	1550607
WAY-161503	HA1E	trt_cp	down	-0.2958205	0.0007223	0.0105304	-1.0904431	-82.19545	2241	-0.0168784	103	100	NA	Serotonin receptor agonist	3906894
atovaquone	HA1E	trt_cp	down	-0.2956460	0.0007223	0.0105304	-1.0897996	-83.26640	2241	-0.0203386	103	100	DHODH	Mitochondrial electron transport inhibitor	44483269
BRD-K25150581	HA1E	trt_cp	down	-0.2955352	0.0007223	0.0105304	-1.0893914	-87.05935	2241	0.0000000	103	100	NA	NA	12179987
rathyronine	HA1E	trt_cp	down	-0.2941478	0.0008647	0.0122010	-1.0842773	-85.80991	2241	-0.0108428	103	100	NA	NA	861
RS-79948	HA1E	trt_cp	down	-0.2937509	0.0008647	0.0122010	-1.0828140	-86.39000	2241	-0.0130204	103	100	NA	Adrenergic receptor antagonist	9908992
SA-97378	NKDBA	trt_cp	down	-0.2937382	0.0008647	0.0122010	-1.1863368	NA	229	-0.7948457	103	100	NA	NA	44494796
tyrphostin-AG-82	HA1E	trt_cp	down	-0.2932295	0.0009442	0.0130625	-1.0808920	-77.51004	2241	0.0000000	103	100	EGFR; LCK	EGFR inhibitor	NotFound
L-690488	HA1E	trt_cp	down	-0.2929772	0.0009442	0.0130625	-1.0799622	-77.95627	2241	0.0000000	103	100	IMPA1	Inositol monophosphatase inhibitor	5132514
rhodomyrtoxin-b	HA1E	trt_cp	down	-0.2925552	0.0009442	0.0130625	-1.0784065	-58.58992	2241	0.0000000	103	100	NA	sodium fluorescein uptake inhibitor	3270699
PD-98059	HA1E	trt_cp	down	-0.2923373	0.0010317	0.0139323	-1.0776035	-77.95627	2241	0.0000000	103	100	AKT1; CHEK1; GSK3B; LCK; MAP2K1; MAP2K2; MAPK11; MAPK12; MAPK14; MAPK3; MAPK8; PRKCA; RAF1; ROCK1; RPS6KB1; SGK1	MAP kinase inhibitor; MEK inhibitor	4713
indirubin	HA1E	trt_cp	down	-0.2918104	0.0010317	0.0139323	-1.0756612	-86.61312	2241	0.0000000	103	100	AHR; CCNE1; CDK1; CDK2; CDK4; CDK5; CDK5R1; CDK9; CYP1A1; GSK3A; GSK3B; LCK; LRRK1; LRRK2	CDK inhibitor; Glycogen synthase kinase inhibitor; Leucine rich repeat kinase inhibitor; Serum/glucocorticoid regulated kinase inhibitor; SRC inhibitor	10177
SA-1472514	NKDBA	trt_cp	down	-0.2916924	0.0010317	0.0139323	-1.1780745	NA	229	-0.7893099	103	100	NA	NA	54654640
exemestane	HA1E	trt_cp	down	-0.2909888	0.0011282	0.0149929	-1.0726327	-80.41053	2241	0.0000000	103	100	CYP19A1	Aromatase inhibitor	60198
clomipramine	HA1E	trt_cp	down	-0.2901991	0.0012294	0.0160097	-1.0697214	-74.25257	2241	0.0000000	103	100	HTR2B; SLC6A2; SLC6A3; SLC6A4	Serotonin transporter inhibitor (SERT)	2801
berbamine	HA1E	trt_cp	down	-0.2883721	0.0014655	0.0185120	-1.0629870	-70.77198	2241	0.0000000	103	100	CALM1	Calmodulin antagonist	275182
SANT-1	HA1E	trt_cp	down	-0.2869220	0.0015986	0.0198720	-1.0576416	-69.43329	2241	-0.0248059	103	100	DHH; IHH; PTCH1; SMO	Smoothened receptor antagonist	6878030
anabasine	HA1E	trt_cp	down	-0.2864344	0.0017460	0.0212842	-1.0558442	-77.59929	2241	0.0000000	103	100	NA	Acetylcholine receptor agonist	2181
BRD-K73143528	HA1E	trt_cp	down	-0.2855058	0.0017460	0.0212842	-1.0524213	-83.31102	2241	-0.0181114	103	100	NA	NA	2013455
BRD-K12707296	HA1E	trt_cp	down	-0.2854074	0.0019031	0.0228001	-1.0520585	-85.05132	2241	-0.0153947	103	100	NA	NA	2321431
L-745870	HA1E	trt_cp	down	-0.2848064	0.0019031	0.0228001	-1.0498431	-80.90138	2241	0.0000000	103	100	DRD1; DRD3; DRD4; HTR6; HTR7	Dopamine receptor antagonist	5311200
naftifine	HA1E	trt_cp	down	-0.2835783	0.0020710	0.0244041	-1.0453163	-56.58188	2241	0.0000000	103	100	SQLE	Fungal squalene epoxidase inhibitor	47641
BRD-K76293260	HA1E	trt_cp	down	-0.2833918	0.0022521	0.0261693	-1.0446288	-70.28112	2241	-0.9402434	103	100	NA	NA	6433346
CGS-12066B	HA1E	trt_cp	down	-0.2832601	0.0022521	0.0261693	-1.0441433	-71.84293	2241	0.0000000	103	100	HTR1B; HTR1D; HTR2B	Serotonin receptor agonist	9915956
kynuramine	HA1E	trt_cp	down	-0.2830204	0.0022521	0.0261693	-1.0432599	-70.77198	2241	0.0000000	103	100	NA	Aryl hydrocarbon receptor activator	4990100
fusaric-acid	HA1E	trt_cp	down	-0.2820756	0.0024484	0.0279549	-1.0397770	-72.86925	2241	0.0270647	103	100	DBH	Dopamine beta hydroxylase inhibitor	3442
RS-67506	HA1E	trt_cp	down	-0.2820016	0.0024484	0.0279549	-1.0395041	-77.19768	2241	-0.0311851	103	100	HTR4	Serotonin receptor partial agonist	133076
BRD-K28112517	HA1E	trt_cp	down	-0.2818020	0.0024484	0.0279549	-1.0387684	-56.09103	2241	0.0000000	103	100	NA	NA	976135
NAN-190	HA1E	trt_cp	down	-0.2817153	0.0024484	0.0279549	-1.0384490	-67.29139	2241	0.0000000	103	100	ADRA1A; ADRA1B; ADRA1D; HTR1F	Serotonin receptor agonist	4431
evoxine	HA1E	trt_cp	down	-0.2814521	0.0026642	0.0300456	-1.0374789	-71.44132	2241	0.0000000	103	100	NA	Furoquinoline alkaloid	673465
SA-101686	NKDBA	trt_cp	down	-0.2807751	0.0026642	0.0300456	-1.1339820	NA	229	-0.7597679	103	100	NA	NA	44502203
L-655708	HA1E	trt_cp	down	-0.2796269	0.0028932	0.0321156	-1.0307509	-81.43686	2241	-0.0206150	103	100	GABRA2; GABRA3; GABRA5; GABRG2	GABA receptor inverse agonist	5311203
fulvestrant	HA1E	trt_cp	down	-0.2791329	0.0031381	0.0342313	-1.0289297	-83.57876	2241	0.0000000	103	100	CCND1; EPHX2; ESR1; ESR2; ESRRA; GPER1; RB1	Estrogen receptor antagonist	73707501
IAA-94	HA1E	trt_cp	down	-0.2786544	0.0031381	0.0342313	-1.0271661	-72.95850	2241	-0.7042856	103	100	NA	Chloride channel blocker	656717
BML-190	HA1E	trt_cp	down	-0.2779730	0.0034056	0.0366439	-1.0246542	-77.95627	2241	0.0000000	103	100	CNR2	Cannabinoid receptor inverse agonist	2415
fluperlapine	HA1E	trt_cp	down	-0.2773585	0.0036926	0.0390738	-1.0223890	-77.59929	2241	-0.0209325	103	100	HTR6; HTR7	Serotonin receptor antagonist	49381
SA-1460110	NKDBA	trt_cp	down	-0.2772314	0.0036926	0.0390738	-1.1196699	NA	229	-0.7501789	103	100	NA	NA	54657753
coumaric-acid	HA1E	trt_cp	down	-0.2770591	0.0036926	0.0390738	-1.0212856	-81.97233	2241	-0.0231901	103	100	NA	Antioxidant	NotFound
metergoline	HA1E	trt_cp	down	-0.2769892	0.0036926	0.0390738	-1.0210278	-69.92414	2241	0.3360072	103	100	HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR5A; HTR6; HTR7; SCN2A	Dopamine receptor agonist; Serotonin receptor antagonist	28693
progesterone	HA1E	trt_cp	down	-0.2767905	0.0036926	0.0390738	-1.0202954	-69.56716	2241	0.0000000	103	100	AKR1C1; AKR1C2; AKR1D1; APOD; AR; CATSPER1; CATSPER2; CATSPER3; CATSPER4; CATSPERB; CATSPERD; CATSPERG; CGA; CYP11B1; CYP17A1; CYP21A2; ESR1; GNAI1; GNAS; GNGT1; HRAS; HSD3B1; HSD3B2; HVCN1; KCNU1; LHB; NR1I2; NR3C1; NR3C2; OPRK1; ORM1; PAQR5; PGR; SERPINA6; SHBG; SRD5A1; SRD5A3; TRPC5	Progesterone receptor agonist	5994
BRD-K44878494	HA1E	trt_cp	down	-0.2766819	0.0036926	0.0390738	-1.0198951	-76.52834	2241	-0.0203979	103	100	NA	NA	24747232
vinpocetine	HA1E	trt_cp	down	-0.2766532	0.0036926	0.0390738	-1.0197891	-76.52834	2241	0.0000000	103	100	PDE1A; PDE1C; SCN10A	Phosphodiesterase inhibitor; Sodium channel blocker	5673
mephenytoin	HA1E	trt_cp	down	-0.2764339	0.0040006	0.0417087	-1.0189810	-74.65417	2241	0.0000000	103	100	NR1I2; SCN5A	Hydantoin antiepileptic	4060
butein	HA1E	trt_cp	down	-0.2761250	0.0040006	0.0417087	-1.0178422	-63.67693	2241	-0.0305353	103	100	ACE; CXCL8; IL6; SIRT1; SRD5A1; SRD5A2; TNF	EGFR inhibitor; SRC inhibitor	5281222
iopanoic-acid	HA1E	trt_cp	down	-0.2757124	0.0040006	0.0417087	-1.0163214	-71.26283	2241	-0.0242857	103	100	NA	Radiopaque medium	3735
chlortetracycline	HA1E	trt_cp	down	-0.2755925	0.0040006	0.0417087	-1.0158792	-74.29719	2241	-0.0203176	103	100	NA	Protein synthesis inhibitor	73707519
ramipril	HA1E	trt_cp	down	-0.2749717	0.0043300	0.0443478	-1.0135909	-85.05132	2241	0.0000000	103	100	ACE; BDKRB1	ACE inhibitor	5362129
mitotane	HA1E	trt_cp	down	-0.2749698	0.0043300	0.0443478	-1.0135839	-57.60821	2241	0.0000000	103	100	AR; CYP11A1; CYP11B1; CYP3A4; ESR1; FDX1; PGR	Antineoplastic	4211
BRD-A55554369	HA1E	trt_cp	down	-0.2749490	0.0043300	0.0443478	-1.0135072	-76.66220	2241	-0.0202701	103	100	NA	NA	4870494
AMN-082	HA1E	trt_cp	down	-0.2746453	0.0043300	0.0443478	-1.0123878	-54.70772	2241	0.0000000	103	100	GRM7	Glutamate receptor modulator; Glutamate receptor positive allosteric modulator	1894361
deltaline	HA1E	trt_cp	down	-0.2740617	0.0046813	0.0473550	-1.0102364	-84.33735	2241	0.0000000	103	100	CHRNA7	Acetylcholine receptor antagonist	441728
GBR-12935	HA1E	trt_cp	down	-0.2738460	0.0046813	0.0473550	-1.0094415	-69.52253	2241	0.7309211	103	100	AGTR1; SLC6A3	Dopamine uptake inhibitor	3456
JTE-013	HA1E	trt_cp	down	-0.2735321	0.0046813	0.0473550	-1.0082842	-76.30522	2241	0.0000000	103	100	P2RY10; S1PR2	Lysophospholipid receptor antagonist	10223146
PD-169316	HA1E	trt_cp	down	-0.2726817	0.0050660	0.0503491	-1.0051495	-71.66444	2241	0.0101941	103	100	ALOX5	p38 MAPK inhibitor	4712
SC-9	HA1E	trt_cp	down	-0.2716155	0.0054722	0.0536889	-1.0012196	-50.95939	2241	-0.0252467	103	100	NA	Protein tyrosine kinase activator	124172
isonicotinohydroxamic-acid	HA1E	trt_cp	down	-0.2715919	0.0054722	0.0536889	-1.0011325	-82.24007	2241	0.0000000	103	100	NA	NA	72967
oxfendazole	HA1E	trt_cp	down	-0.2715788	0.0054722	0.0536889	-1.0010842	-70.01339	2241	-0.0285699	103	100	NA	Anthelmintic	40854
DAPT-GSI-IX	HA1E	trt_cp	down	-0.2706091	0.0059111	0.0571773	-0.9975096	-72.91388	2241	0.0000000	103	100	NA	Gamma secretase inhibitor	NotFound
tyrphostin-AG-538	HA1E	trt_cp	down	-0.2701318	0.0063767	0.0607224	-0.9957504	-68.76394	2241	0.0000000	103	100	EGFR	IGF-1 inhibitor	5328760
BRD-K37372998	HA1E	trt_cp	down	-0.2699993	0.0063767	0.0607224	-0.9952620	-70.28112	2241	-0.0199052	103	100	NA	NA	24747160
halcinonide	HA1E	trt_cp	down	-0.2690432	0.0068820	0.0646108	-0.9917374	-67.11290	2241	0.0000000	103	100	NR3C1; SMO	Glucocorticoid receptor agonist	73707616
PP-3	HA1E	trt_cp	down	-0.2689827	0.0068820	0.0646108	-0.9915143	-70.54886	2241	0.0000000	103	100	NA	EGFR inhibitor	4879
piperine	HA1E	trt_cp	down	-0.2687161	0.0068820	0.0646108	-0.9905318	-73.13699	2241	-0.0219355	103	100	MAOA; MAOB; NR1I2; TRPV1	Monoamine oxidase inhibitor	638024
ZD-2079	HA1E	trt_cp	down	-0.2686851	0.0068820	0.0646108	-0.9904173	-68.45158	2241	-0.0238254	103	100	ADRB3	Adrenergic receptor agonist	158794
phenylalanyltyrosine	HA1E	trt_cp	down	-0.2685518	0.0068820	0.0646108	-0.9899263	-66.97903	2241	-0.0197985	103	100	NA	NA	515709
prunetin	HA1E	trt_cp	down	-0.2682707	0.0074167	0.0686906	-0.9888898	-74.65417	2241	-0.0098889	103	100	ABCG2; ALDH2	Breast cancer resistance protein inhibitor	5281804
propoxycaine	HA1E	trt_cp	down	-0.2681485	0.0074167	0.0686906	-0.9884393	-66.53280	2241	0.0000000	103	100	NA	Local anesthetic	6843
prothionamide	HA1E	trt_cp	down	-0.2673762	0.0079852	0.0728252	-0.9855926	-67.29139	2241	-0.0236327	103	100	NA	Mycobacterium tuberculosis enoyl-[acyl-carrier-protein] reductase [NADH] (inhA) inhibitor	666418
flavokavain-b	HA1E	trt_cp	down	-0.2667516	0.0079852	0.0728252	-0.9832903	-60.24096	2241	0.0311313	103	100	HIF1A	Antineoplastic	5356121
MR-16728	HA1E	trt_cp	down	-0.2663345	0.0085974	0.0775773	-0.9817529	-51.80723	2241	0.0000000	103	100	NA	Acetylcholine release enhancer; Acetylcholine release stimulant	378811
ivermectin	HA1E	trt_cp	down	-0.2661866	0.0085974	0.0775773	-0.9812075	-59.66087	2241	0.3322484	103	100	CHRNA7; GABRB3; GLRA3; P2RX7	GABA receptor agonist	45114068
alfadolone-acetate	HA1E	trt_cp	down	-0.2654218	0.0092511	0.0825040	-0.9783885	-70.41499	2241	-0.0254773	103	100	NA	NA	24733
fluocinolone-acetonide	HA1E	trt_cp	down	-0.2653984	0.0092511	0.0825040	-0.9783021	-77.73315	2241	-0.0162416	103	100	NA	NA	6215
emodic-acid	HA1E	trt_cp	down	-0.2652762	0.0092511	0.0825040	-0.9778516	-65.90808	2241	0.9401579	103	100	NA	Laxative	361510
naringin	HA1E	trt_cp	down	-0.2644682	0.0099400	0.0874763	-0.9748733	-72.11066	2241	-0.0129585	103	100	SLCO1A2	Cytochrome P450 inhibitor	442428
reserpine	HA1E	trt_cp	down	-0.2641749	0.0099400	0.0874763	-0.9737923	-64.88175	2241	-0.8134958	103	100	ABCG2; BIRC5; DBH; PNMT; SLC18A1; SLC18A2; TH	Vesicular monoamine transporter inhibitor	11908593
BRD-K53011428	HA1E	trt_cp	down	-0.2640689	0.0099400	0.0874763	-0.9734014	-66.35431	2241	-0.0194680	103	100	NA	NA	1257201
BRD-K59761766	HA1E	trt_cp	down	-0.2638053	0.0099400	0.0874763	-0.9724298	-70.54886	2241	-0.0194486	103	100	NA	NA	2819767
hispidin	HA1E	trt_cp	down	-0.2635023	0.0099400	0.0874763	-0.9713128	-61.17805	2241	0.0000000	103	100	PREP; PRKCB	PKC inhibitor	5353671
BRD-K22006123	HA1E	trt_cp	down	-0.2632650	0.0106731	0.0926154	-0.9704379	-59.12539	2241	-0.0164102	103	100	NA	NA	24747212
SA-1459020	NKDBA	trt_cp	down	-0.2631536	0.0106731	0.0926154	-1.0628133	NA	229	-0.6650146	103	100	NA	NA	54657758
BRD-K24632213	HA1E	trt_cp	down	-0.2628818	0.0106731	0.0926154	-0.9690255	-74.47568	2241	0.0000000	103	100	NA	NA	814607
BRD-K21640605	HA1E	trt_cp	down	-0.2624552	0.0114617	0.0981981	-0.9674530	-69.03168	2241	-0.7431240	103	100	NA	NA	665093
SA-440772	NKDBA	trt_cp	down	-0.2623475	0.0114617	0.0981981	-1.0595573	NA	229	-0.4032394	103	100	NA	NA	44495084
dicyclohexylurea	HA1E	trt_cp	down	-0.2616551	0.0114617	0.0981981	-0.9645036	-58.90228	2241	-0.0289351	103	100	EPHX2	Epoxide hydolase inhibitor	4277
indirubin-3-monoxime	HA1E	trt_cp	down	-0.2615170	0.0114617	0.0981981	-0.9639947	-66.71129	2241	-0.0221783	103	100	NA	NA	3707
dilazep	HA1E	trt_cp	down	-0.2609802	0.0122900	0.1039574	-0.9620158	-61.44578	2241	-0.6415199	103	100	CACNA1C; SLC29A1	Adenosine reuptake inhibitor	3074
BRD-K93367411	HA1E	trt_cp	down	-0.2608003	0.0122900	0.1039574	-0.9613529	-55.42169	2241	0.0000000	103	100	NA	NA	40482356
ibuprofen	HA1E	trt_cp	down	-0.2605776	0.0122900	0.1039574	-0.9605320	-67.91611	2241	-0.9607160	103	100	ACSM2A; AKR1C2; AKR1C3; APP; ASIC1; BCL2; CFTR; CYP2C8; CYP2C9; FABP2; FABP4; GP1BA; LTF; PLAT; PPARA; PPARG; S100A7; SLC5A8; TF; THBD	Cyclooxygenase inhibitor; NFkB pathway inhibitor	3672
phenazopyridine	HA1E	trt_cp	down	-0.2605403	0.0122900	0.1039574	-0.9603945	-61.04418	2241	-0.9668111	103	100	SCN1A	Local anesthetic	8691
SR-57227A	HA1E	trt_cp	down	-0.2599989	0.0131762	0.1100757	-0.9583989	-49.97769	2241	0.0000000	103	100	HTR3A	Serotonin receptor agonist	131746
BRD-K10355322	HA1E	trt_cp	down	-0.2599486	0.0131762	0.1100757	-0.9582135	-73.00312	2241	-0.0191643	103	100	NA	NA	5823053
GR-135531	HA1E	trt_cp	down	-0.2598690	0.0131762	0.1100757	-0.9579199	-79.83043	2241	-0.0191584	103	100	NA	Melatonin receptor agonist	4284525
betamethasone-acetate	HA1E	trt_cp	down	-0.2598497	0.0131762	0.1100757	-0.9578488	-64.16778	2241	0.0000000	103	100	NA	NA	443967
SA-97259	NKDBA	trt_cp	down	-0.2589766	0.0141064	0.1163871	-1.0459431	NA	229	0.6096490	103	100	NA	NA	44500706
meclizine	HA1E	trt_cp	down	-0.2583214	0.0150962	0.1229198	-0.9522152	-64.52477	2241	0.0000000	103	100	NR1I3	NA	92303
carbacyclin	HA1E	trt_cp	down	-0.2582160	0.0150962	0.1229198	-0.9518265	-75.81437	2241	0.0000000	103	100	PPARD; PTGDR; PTGER1; PTGER2; PTGER3; PTGER4; PTGFR; PTGIR; TBXA2R	IP receptor activator; PPAR receptor agonist	5311242
nafadotride	HA1E	trt_cp	down	-0.2580643	0.0150962	0.1229198	-0.9512673	-79.60732	2241	-0.0265991	103	100	DRD3	Dopamine receptor antagonist	3408722
cilastatin	HA1E	trt_cp	down	-0.2573841	0.0161437	0.1295893	-0.9487600	-63.09683	2241	0.0000000	103	100	DPEP1	Dehydropeptidase inhibitor	6435415
BRD-K03552198	HA1E	trt_cp	down	-0.2572617	0.0161437	0.1295893	-0.9483089	-64.74788	2241	-0.9493239	103	100	NA	NA	1562008
ephedrine-(racemic)	HA1E	trt_cp	down	-0.2571581	0.0161437	0.1295893	-0.9479269	-70.81660	2241	0.0000000	103	100	NA	NA	NotFound
purvalanol-b	HA1E	trt_cp	down	-0.2569570	0.0161437	0.1295893	-0.9471859	-59.70549	2241	-0.7521585	103	100	CDK2; CDK4; CDK5; MAPK3; SRPK2	Tyrosine kinase inhibitor	448991
FR-122047	HA1E	trt_cp	down	-0.2565435	0.0161437	0.1295893	-0.9456617	-64.07854	2241	-0.0283699	103	100	NA	Cyclooxygenase inhibitor	196841
BW-723C86	HA1E	trt_cp	down	-0.2558823	0.0172593	0.1370126	-0.9432244	-53.10129	2241	0.0000000	103	100	HTR2B	Serotonin receptor agonist	5311036
BRD-A25829966	HA1E	trt_cp	down	-0.2556822	0.0172593	0.1370126	-0.9424865	-68.80857	2241	-0.0142754	103	100	NA	NA	44537690
BRD-A72069525	HA1E	trt_cp	down	-0.2552701	0.0184416	0.1447729	-0.9409674	-67.20214	2241	0.0000000	103	100	NA	NA	551940
haematoxylin-pentaacetate	HA1E	trt_cp	down	-0.2548500	0.0184416	0.1447729	-0.9394190	-66.66667	2241	-0.9426402	103	100	NA	NA	6708558
BRD-A98200599	HA1E	trt_cp	down	-0.2547754	0.0184416	0.1447729	-0.9391442	-59.17001	2241	-0.0187829	103	100	NA	NA	570188
BRD-K63181962	HA1E	trt_cp	down	-0.2539064	0.0196884	0.1526833	-0.9359407	-67.15752	2241	0.0000000	103	100	NA	NA	44142057
BRD-K87657228	HA1E	trt_cp	down	-0.2534230	0.0210094	0.1610253	-0.9341589	-67.06827	2241	0.0000000	103	100	NA	NA	44229067
L-168049	HA1E	trt_cp	down	-0.2528611	0.0210094	0.1610253	-0.9320875	-66.30968	2241	-0.6536810	103	100	GCGR	Glucagon receptor antagonist	5311276
amlodipine	HA1E	trt_cp	down	-0.2525706	0.0210094	0.1610253	-0.9310168	-57.47434	2241	0.0000000	103	100	ABCG2; CA1; CACNA1B; CACNA1C; CACNA1D; CACNA1S; CACNA2D1; CACNA2D3; CACNB1; CACNB2; CYP2B6; SMPD1	Calcium channel blocker	2162
flunisolide	HA1E	trt_cp	down	-0.2522768	0.0223871	0.1699687	-0.9299336	-43.68585	2241	0.0000000	103	100	NR3C1	Cytochrome P450 inhibitor	5702174
SA-1472321	NKDBA	trt_cp	down	-0.2520327	0.0223871	0.1699687	-1.0178985	NA	229	-0.6819920	103	100	NA	NA	54653980
azaperone	HA1E	trt_cp	down	-0.2518762	0.0223871	0.1699687	-0.9284572	-53.27979	2241	0.0000000	103	100	DRD3	Dopamine receptor antagonist	15443
CO-102862	HA1E	trt_cp	down	-0.2512130	0.0238390	0.1793333	-0.9260123	-64.43552	2241	0.0000000	103	100	SCN2A; SCN4A; SCN9A	Sodium channel blocker	10221150
flumazenil	HA1E	trt_cp	down	-0.2509552	0.0238390	0.1793333	-0.9250621	-45.15841	2241	-0.0237234	103	100	GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ	Benzodiazepine receptor antagonist	3373
BRD-A24054354	HA1E	trt_cp	down	-0.2504169	0.0253670	0.1887271	-0.9230780	-53.14592	2241	0.0000000	103	100	NA	NA	3516032
isogedunin	HA1E	trt_cp	down	-0.2497418	0.0253670	0.1887271	-0.9205893	-47.52343	2241	-0.7388848	103	100	NA	HSP inhibitor	6708584
PAC-1	HA1E	trt_cp	down	-0.2490590	0.0269838	0.1986654	-0.9180725	-54.88621	2241	0.5387780	103	100	CASP3	Caspase activator	135421197
canrenoic-acid	HA1E	trt_cp	down	-0.2480786	0.0286771	0.2091219	-0.9144585	-60.91031	2241	-0.0250729	103	100	NA	Mineralocorticoid receptor antagonist	656615
BRD-A81936046	HA1E	trt_cp	down	-0.2474868	0.0304564	0.2199330	-0.9122770	-58.27755	2241	-0.6294711	103	100	NA	NA	73707403
6-benzylaminopurine	HA1E	trt_cp	down	-0.2458841	0.0323254	0.2303884	-0.9063694	-56.93887	2241	-0.9128082	103	100	NA	Purinergic receptor activator	62389
methoxsalen	HA1E	trt_cp	down	-0.2455576	0.0323254	0.2303884	-0.9051656	-66.97903	2241	-0.0181033	103	100	ACHE; CYP1A2	DNA synthesis inhibitor	4114
BMS-191011	HA1E	trt_cp	down	-0.2455520	0.0323254	0.2303884	-0.9051450	-68.85319	2241	-0.3349036	103	100	KCNMA1	Potassium channel activator	10474339
ABT-737	HA1E	trt_cp	down	-0.2455019	0.0323254	0.2303884	-0.9049605	-52.03034	2241	0.0000000	103	100	BAD; BCL2; BCL2L1; BCL2L2	BCL inhibitor	11228183
nalbuphine	HA1E	trt_cp	down	-0.2454334	0.0342699	0.2416618	-0.9047080	-62.24900	2241	0.0000000	103	100	OPRD1; OPRK1; OPRM1	Opioid receptor agonist; Opioid receptor antagonist	23581814
SA-96816	NKDBA	trt_cp	down	-0.2451386	0.0342699	0.2416618	-0.9900550	NA	229	-0.6633369	103	100	NA	NA	44494782
diprotin-a	HA1E	trt_cp	down	-0.2449533	0.0342699	0.2416618	-0.9029383	-44.97992	2241	-0.0090294	103	100	DPP4	Dipeptidyl peptidase inhibitor	94701
BI-2536	HA1E	trt_cp	down	-0.2434189	0.0384309	0.2660236	-0.8972822	-52.69969	2241	0.0257296	103	100	BRD4; PLK1; PLK2; PLK3	PLK inhibitor	11364421
BRD-K03954795	HA1E	trt_cp	down	-0.2433035	0.0384309	0.2660236	-0.8968567	-70.90585	2241	-0.9019912	103	100	NA	NA	902452
SA-1938757	NKDBA	trt_cp	down	-0.2431892	0.0384309	0.2660236	-0.9821820	NA	229	-0.6580619	103	100	NA	NA	60186845
SA-1459167	NKDBA	trt_cp	down	-0.2424118	0.0406627	0.2789933	-0.9790421	NA	229	-0.6559582	103	100	NA	NA	54658498
nitrarine	HA1E	trt_cp	down	-0.2418176	0.0406627	0.2789933	-0.8913793	-56.44801	2241	-0.0178276	103	100	NA	NA	398797
tyrphostin-AG-18	HA1E	trt_cp	down	-0.2399840	0.0454073	0.3050338	-0.8846204	-44.17671	2241	0.0000000	103	100	EGFR	EGFR inhibitor; Tyrosine kinase inhibitor	NotFound
lasalocid	HA1E	trt_cp	down	-0.2396249	0.0454073	0.3050338	-0.8832969	-55.86792	2241	0.0000000	103	100	NA	Bacterial permeability inducer	5360807
MRS-1754	HA1E	trt_cp	down	-0.2395947	0.0454073	0.3050338	-0.8831855	-36.54618	2241	0.0000000	103	100	ADORA1; ADORA2A; ADORA2B; ADORA3	Adenosine receptor antagonist	6603931
etifenin	HA1E	trt_cp	down	-0.2395642	0.0454073	0.3050338	-0.8830729	-42.79340	2241	-0.0217408	103	100	NA	Compound used in hepatobiliary scans of the liver	170344
BRD-K19826688	HA1E	trt_cp	down	-0.2388093	0.0479389	0.3144514	-0.8802903	-61.35654	2241	0.0000000	103	100	NA	NA	NotFound
SA-1462246	NKDBA	trt_cp	down	-0.2377951	0.0505539	0.3144514	-0.9603964	NA	229	-1.0670241	103	100	NA	NA	54655268
altanserin	HA1E	trt_cp	down	-0.2368524	0.0532625	0.3144514	-0.8730770	-47.30031	2241	-0.8826340	103	100	NA	Serotonin receptor antagonist	3033677
SB-216763	HA1E	trt_cp	down	-0.2367336	0.0532625	0.3144514	-0.8726391	-45.38153	2241	0.0000000	103	100	CDK2; GSK3A; GSK3B	Glycogen synthase kinase inhibitor	176158
fraxetin	HA1E	trt_cp	down	-0.2364860	0.0560729	0.3144514	-0.8717262	-54.08300	2241	0.0000000	103	100	NA	Antioxidant	5273569
SA-419083	NKDBA	trt_cp	down	-0.2362337	0.0560729	0.3144514	-0.9540901	NA	229	0.0000000	103	100	NA	NA	44505047
GBR-13069	HA1E	trt_cp	down	-0.2361188	0.0560729	0.3144514	-0.8703727	-44.97992	2241	-0.8211932	103	100	SLC6A3	Dopamine uptake inhibitor	5974189
tetrindole	HA1E	trt_cp	down	-0.2359759	0.0560729	0.3144514	-0.8698460	-44.48907	2241	0.0000000	103	100	MAOA	Monoamine oxidase inhibitor	160019
diphenidol	HA1E	trt_cp	down	-0.2358665	0.0560729	0.3144514	-0.8694427	-47.25569	2241	0.0000000	103	100	CHRM1; CHRM4	Acetylcholine receptor agonist	3055
BRD-K18595892	HA1E	trt_cp	down	-0.2357605	0.0560729	0.3144514	-0.8690521	-51.53949	2241	-0.0153882	103	100	NA	NA	3240581
NVP-AUY922	HA1E	trt_cp	down	-0.2356619	0.0560729	0.3144514	-0.8686886	-49.57608	2241	-0.5484437	103	100	HSP90AA1; HSP90AA2; HSP90AB1; HSP90B1; TRAP1	HSP inhibitor	10096043
Ro-10-5824	HA1E	trt_cp	down	-0.2339831	0.0620255	0.3144514	-0.8625002	-36.99241	2241	0.0000000	103	100	DRD4	NA	16759175
probucol	HA1E	trt_cp	down	-0.2338753	0.0620255	0.3144514	-0.8621027	-36.90317	2241	0.0000000	103	100	ABCA1; ABCB11; APOA1; APOA2; APOB; APOE; CES1; CETP; SCARB1; SELE; VCAM1	Atherogenesis inhibitor	4912
naproxen	HA1E	trt_cp	down	-0.2337769	0.0620255	0.3144514	-0.8617403	-57.20660	2241	-0.8630417	103	100	AKR1C2; AKR1C3; CYP2C9; LTF; PNLIP; TF	Cyclooxygenase inhibitor	1302
BRD-K73610817	HA1E	trt_cp	down	-0.2336008	0.0620255	0.3144514	-0.8610908	-44.08746	2241	0.0000000	103	100	NA	NA	3426979
clemastine	HA1E	trt_cp	down	-0.2333210	0.0651636	0.3144514	-0.8600596	-50.78090	2241	0.0000000	103	100	HRH1	Histamine receptor antagonist	26987
flavoxate	HA1E	trt_cp	down	-0.2327666	0.0651636	0.3144514	-0.8580161	-39.98215	2241	-0.0257405	103	100	CHRM1	Acetylcholine receptor antagonist	3354
BRD-K39187410	HA1E	trt_cp	down	-0.2321663	0.0684082	0.3144514	-0.8558032	-41.14235	2241	0.0000000	103	100	NA	NA	11957531
GW-311616	HA1E	trt_cp	down	-0.2317784	0.0684082	0.3144514	-0.8543731	-40.96386	2241	-0.0238986	103	100	ELANE	Leukocyte elastase inhibitor	44483335
mebeverine	HA1E	trt_cp	down	-0.2315973	0.0684082	0.3144514	-0.8537058	-48.54975	2241	0.0000000	103	100	CHRM1; CHRM4; IL13	Acetylcholine receptor antagonist	4031
Ro-04-6790	HA1E	trt_cp	down	-0.2313701	0.0717490	0.3144514	-0.8528684	-38.06336	2241	0.0000000	103	100	HTR6	Serotonin receptor antagonist	5312145
benzo(a)pyrene	HA1E	trt_cp	down	-0.2312117	0.0717490	0.3144514	-0.8522842	-49.84382	2241	0.0094531	103	100	NA	Carcinogen	2336
BMY-7378	HA1E	trt_cp	down	-0.2309032	0.0717490	0.3144514	-0.8511471	-46.31861	2241	-0.0255344	103	100	ADRA1A; ADRA1B; ADRA1D	Adrenergic receptor antagonist; Serotonin receptor antagonist	2419
caffeic-acid	HA1E	trt_cp	down	-0.2298200	0.0751866	0.3144514	-0.8471545	-34.85051	2241	0.0000000	103	100	ALOX5; MIF; RELA; TNF	HIV integrase inhibitor; Lipoxygenase inhibitor; NFkB pathway inhibitor; Nitric oxide production inhibitor; PPAR receptor modulator; TNF production inhibitor; Tumor necrosis factor production inhibitor	689043
phensuximide	HA1E	trt_cp	down	-0.2292755	0.0787550	0.3144514	-0.8451471	-51.71798	2241	0.0188449	103	100	NA	Succinimide antiepileptic	6839
rotenonic-acid	HA1E	trt_cp	down	-0.2288447	0.0787550	0.3144514	-0.8435593	-47.61267	2241	0.0227722	103	100	NA	Retinoid receptor antagonist	6708539
BRD-K61894884	HA1E	trt_cp	down	-0.2277312	0.0823825	0.3144514	-0.8394545	-54.39536	2241	0.0000000	103	100	NA	NA	NotFound
LY-456236	HA1E	trt_cp	down	-0.2252178	0.0939448	0.3144514	-0.8301900	-51.94110	2241	-0.5811330	103	100	GRM1	Glutamate receptor antagonist	9926999
RS-102895	HA1E	trt_cp	down	-0.2248267	0.0939448	0.3144514	-0.8287482	-48.54975	2241	-0.0165750	103	100	CCR2	CCR antagonist	10000456
SDZ-21009	HA1E	trt_cp	down	-0.2243748	0.0979693	0.3144514	-0.8270823	-50.20080	2241	0.0000000	103	100	NA	NA	193949
SA-247582	NKDBA	trt_cp	down	-0.2235732	0.0979693	0.3144514	-0.9029576	NA	229	-0.6049816	103	100	NA	NA	44508028
PK-11195	HA1E	trt_cp	down	-0.2227703	0.1020951	0.3144514	-0.8211681	-31.59304	2241	-0.7497236	103	100	NR1I2; NR1I3; TSPO	Benzodiazepine receptor antagonist	1345
diclofenamide	HA1E	trt_cp	down	-0.2207412	0.1106222	0.3144514	-0.8136884	-38.19723	2241	0.0000000	103	100	CA1; CA12; CA3; CA4; CA7	Carbonic anhydrase inhibitor	3038
CNQX	HA1E	trt_cp	down	-0.2190591	0.1195050	0.3144514	-0.8074878	-59.12539	2241	-0.0159188	103	100	GRIA1; GRIA3; GRIA4	Glutamate receptor antagonist	3721046
alisertib	HA1E	trt_cp	down	-0.2189582	0.1195050	0.3144514	-0.8071159	-45.64926	2241	-0.5569100	103	100	AURKA	Aurora kinase inhibitor	24771867
benzbromarone	HA1E	trt_cp	down	-0.2179305	0.1240573	0.3144514	-0.8033278	-42.25792	2241	-0.0160666	103	100	ABCC1; CYP2C9; SLC22A12	Chloride channel blocker	2333
GW-6471	HA1E	trt_cp	down	-0.2170454	0.1286736	0.3144514	-0.8000652	-43.46274	2241	0.0000000	103	100	PPARA	PPAR receptor antagonist	44634742
sertraline	HA1E	trt_cp	down	-0.2165616	0.1286736	0.3144514	-0.7982818	-33.28871	2241	0.0000000	103	100	CYP2C9; PGRMC1; SIGMAR1; SLC6A3; SLC6A4	Serotonin receptor antagonist	6093397
BRD-K89097220	HA1E	trt_cp	down	-0.2160297	0.1333588	0.3144514	-0.7963209	-51.09326	2241	0.0000000	103	100	NA	NA	7122097
BRD-K23673040	HA1E	trt_cp	down	-0.2158181	0.1333588	0.3144514	-0.7955410	-44.84605	2241	0.0000000	103	100	NA	NA	690299
pregnenolone	HA1E	trt_cp	down	-0.2153610	0.1381184	0.3144514	-0.7938559	-40.91923	2241	0.0000000	103	100	BPNT1; CGA; CYP11A1; CYP17A1; CYP21A2; CYP7B1; HSD3B1; HSD3B2; LHB; NR1I2; PGR; POMC; STS; SULT2A1; SULT2B1	Acetylcholine release enhancer; Dopamine release enhancer; GABA receptor negative allosteric modulator; glutamate receptor modulator; Glutamate receptor modulator	7088398
vorinostat	HA1E	trt_cp	down	-0.2144667	0.1429115	0.3144514	-0.7905594	-27.26461	2241	0.0000000	103	100	HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9	HDAC inhibitor	5311
m-3M3FBS	HA1E	trt_cp	down	-0.2100794	0.1625104	0.3144514	-0.7743872	-43.55199	2241	-0.0232316	103	100	PLCB2; PLCB3; PLCD1; PLCG1; PLCG2	NA	761523
BRD-A64850503	HA1E	trt_cp	down	-0.2099748	0.1625104	0.3144514	-0.7740018	-38.19723	2241	0.0000000	103	100	NA	NA	4302116
tebuthiuron	HA1E	trt_cp	down	-0.2095940	0.1625104	0.3144514	-0.7725980	-42.25792	2241	0.0000000	103	100	NA	Photosynthesis inhibitor	5383
biochanin-a	HA1E	trt_cp	down	-0.2089191	0.1674784	0.3144514	-0.7701102	-30.83445	2241	-0.0231033	103	100	NA	Estrogen receptor agonist	5280373
SB-222200	HA1E	trt_cp	down	-0.2064228	0.1824439	0.3144514	-0.7609083	-39.80366	2241	0.0000000	103	100	TACR3	Tachykinin antagonist	6604009
BRD-K93975822	HA1E	trt_cp	down	-0.2033633	0.1973085	0.3144514	-0.7496305	-35.16287	2241	-0.0149926	103	100	NA	NA	44142065
gelsemine	HA1E	trt_cp	down	-0.2020435	0.2022059	0.3144514	-0.7447654	-36.50156	2241	0.0000000	103	100	GLRA3	Acetylcholine receptor antagonist; Glycine receptor antagonist	5390854
entinostat	HA1E	trt_cp	down	-0.2019651	0.2022059	0.3144514	-0.7444765	-37.03704	2241	0.0000000	103	100	HDAC1; HDAC2; HDAC3; HDAC9	HDAC inhibitor	4261
ISOX	HA1E	trt_cp	down	-0.2019059	0.2022059	0.3144514	-0.7442585	-36.85855	2241	0.0000000	103	100	HDAC6	HDAC inhibitor	24951314
AGK-2	HA1E	trt_cp	down	-0.2017151	0.2022059	0.3144514	-0.7435549	-32.97635	2241	-0.7383645	103	100	SIRT2	SIRT inhibitor	2130404
SA-1939936	NKDBA	trt_cp	down	-0.2016764	0.2022059	0.3144514	-0.8145217	NA	229	0.0000000	103	100	NA	NA	60189878
gabazine	HA1E	trt_cp	down	-0.2014546	0.2070626	0.3144514	-0.7425948	-29.85274	2241	0.0000000	103	100	GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRG2	GABA receptor antagonist	107895
desipramine	HA1E	trt_cp	down	-0.1999933	0.2118579	0.3144514	-0.7372082	-36.59081	2241	0.0000000	103	100	ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; CHRM1; CHRM4; CHRM5; HRH1; SLC22A3; SLC6A2; SLC6A4; SMPD1; TH	Tricyclic antidepressant	2995
BRD-K71746704	HA1E	trt_cp	down	-0.1986667	0.2166037	0.3144514	-0.7323182	-41.49933	2241	0.0000000	103	100	NA	NA	10402601
papaverine	HA1E	trt_cp	down	-0.1980752	0.2213004	0.3144514	-0.7301377	-35.92146	2241	0.0000000	103	100	PDE10A; PDE4B; PDE5A	Phosphodiesterase inhibitor	6084
BRD-K69304050	HA1E	trt_cp	down	-0.1978893	0.2213004	0.3144514	-0.7294524	-33.19946	2241	0.0000000	103	100	NA	NA	25243777
maprotiline	HA1E	trt_cp	down	-0.1954739	0.2348545	0.3144514	-0.7205489	-32.48550	2241	0.0000000	103	100	ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; CHRM1; CHRM4; CHRM5; HRH1; HTR7; SLC6A2	Norepinephrine reuptake inhibitor; Tricyclic antidepressant	4011
bezafibrate	HA1E	trt_cp	down	-0.1945525	0.2348545	0.3144514	-0.7171524	-36.72468	2241	-0.2653464	103	100	APOA1; APOA2; APOB; APOE; CETP; CRAT; HBE1; HBG1; HBG2; HSD11B1; LPL; NR1I2; PPARA; PPARD; PPARG; RXRA; RXRB; RXRG; SERPINE1; UCP3	PPAR receptor agonist	39042
xylazine	HA1E	trt_cp	down	-0.1927797	0.2434283	0.3144514	-0.7106177	-46.22936	2241	0.0000000	103	100	ADRA2B; ADRA2C	Adrenergic receptor agonist	5707
FIT	HA1E	trt_cp	down	-0.1925166	0.2434283	0.3144514	-0.7096477	-29.98661	2241	0.0309952	103	100	OPRD1	Opioid receptor agonist	84008
apicidin	HA1E	trt_cp	down	-0.1923484	0.2475593	0.3144514	-0.7090277	-35.78759	2241	0.0000000	103	100	HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC4; HDAC5; HDAC6; HDAC7; HDAC8; HDAC9	HDAC inhibitor	467801
r(-)-propylnorapomorphine	HA1E	trt_cp	down	-0.1910051	0.2515630	0.3144514	-0.7040763	-32.03927	2241	-0.0211223	103	100	DRD1; DRD3	Dopamine receptor agonist; TRPA1 modulator	NotFound
finasteride	HA1E	trt_cp	down	-0.1905788	0.2515630	0.3144514	-0.7025048	-26.41678	2241	-0.7030594	103	100	AKR1D1; AR; KLK3; SRD5A1; SRD5A2	5-alpha reductase inhibitor	10970751
PSH-013	HA1E	trt_cp	down	-0.1905323	0.2515630	0.3144514	-0.7023335	-36.68005	2241	-0.0133699	103	100	NA	NA	6572379
phosphodiesterase-V-inhibitor-II	HA1E	trt_cp	down	-0.1904580	0.2554585	0.3144514	-0.7020596	-32.21776	2241	0.0000000	103	100	PDE5A	Phosphodiesterase inhibitor	11003969
nitrendipine	HA1E	trt_cp	down	-0.1901074	0.2554585	0.3144514	-0.7007673	-32.93173	2241	0.0000000	103	100	CACNA1C; CACNA1D; CACNA1H; CACNA1S; CACNA2D1; CACNA2D2; CACNB2; CACNG1; KCNN4	Calcium channel blocker	4507
nitrocaramiphen	HA1E	trt_cp	down	-0.1883956	0.2628384	0.3144514	-0.6944573	-22.44534	2241	0.0000000	103	100	NA	Cholinergic receptor antagonist	25102587
xaliproden	HA1E	trt_cp	down	-0.1873725	0.2663461	0.3144514	-0.6906859	-31.41455	2241	0.0000000	103	100	MAPK3	Serotonin receptor agonist	128919
cytosporone-b	HA1E	trt_cp	down	-0.1868775	0.2663461	0.3144514	-0.6888613	-27.80009	2241	0.0000000	103	100	NR4A1	NUR77 receptor agonist	10687292
BRD-K85051645	HA1E	trt_cp	down	-0.1861812	0.2697161	0.3144514	-0.6862944	-31.72691	2241	-0.0137259	103	100	NA	NA	56643193
SKF-81297	HA1E	trt_cp	down	-0.1851943	0.2729519	0.3144514	-0.6826566	-30.56671	2241	-0.2525829	103	100	DRD1	Dopamine receptor agonist	11957706
FU-JMBII127B	HA1E	trt_cp	down	-0.1835483	0.2760193	0.3144514	-0.6765892	-23.56091	2241	0.0000000	103	100	NA	NA	24856313
purvalanol-a	HA1E	trt_cp	down	-0.1833085	0.2789413	0.3144514	-0.6757054	-28.82642	2241	0.0000000	103	100	CCND1; CCNE1; CDK1; CDK2; CDK4; CDK5; CSNK1G3; RPS6KA1; SRC	CDK inhibitor; DYRK inhibitor	456214
LY-278584	HA1E	trt_cp	down	-0.1821897	0.2817278	0.3144514	-0.6715814	-25.47970	2241	0.0000000	103	100	HTR3A	Serotonin receptor antagonist	3970
resveratrol	HA1E	trt_cp	down	-0.1816054	0.2817278	0.3144514	-0.6694274	-30.83445	2241	0.0000000	103	100	AHR; AKT1; ALOX15; ALOX5; APOA1; APP; ATP5A1; ATP5B; ATP5C1; BACE1; CBR1; CLEC14A; CSNK2A1; ITGA5; ITGB3; KHSRP; MAOA; MAT2B; MTNR1A; MTNR1B; NQO2; NR1I2; NR1I3; PI4K2B; PPARA; PPARG; SCN5A; SIRT1; SIRT5; SLC2A1; SNCA; SULT1B1; TXNRD1; TXNRD2; YARS	Cytochrome P450 inhibitor; SIRT activator	445154
BRD-K64024097	HA1E	trt_cp	down	-0.1807426	0.2843721	0.3144514	-0.6662469	-39.17894	2241	0.0000000	103	100	NA	NA	73055061
SA-1922261	NKDBA	trt_cp	down	-0.1786190	0.2892208	0.3144514	-0.7213985	NA	229	-0.4833370	103	100	NA	NA	54666567
sonidegib	HA1E	trt_cp	down	-0.1755672	0.2954248	0.3144514	-0.6471695	-34.44891	2241	0.0000000	103	100	SMO	NA	24775005
lumicolchicine	HA1E	trt_cp	down	-0.1707882	0.3031937	0.3144514	-0.6295534	-29.49576	2241	0.0238547	103	100	NA	Colchicine isomer; non-binder of microtubules	244898
BRD-K28366444	HA1E	trt_cp	down	-0.1698306	0.3043983	0.3144514	-0.6260234	-35.16287	2241	-0.8064634	103	100	NA	NA	3234518
RHC-80267	HA1E	trt_cp	down	-0.1664103	0.3082453	0.3144514	-0.6134158	-26.41678	2241	0.0000000	103	100	DAGLA; DAGLB; LIPC; LIPE; LIPG	Triacylglycerol lipase inhibitor	5063
SA-427604	NKDBA	trt_cp	down	-0.1655598	0.3082453	0.3144514	-0.6686556	NA	229	-0.4479992	103	100	NA	NA	44620034
PSH-021	HA1E	trt_cp	down	-0.1647523	0.3089922	0.3144514	-0.6073042	-30.47747	2241	-0.0121461	103	100	NA	NA	24747176
emetine	HA1E	trt_cp	down	-0.1619329	0.3107999	0.3144514	-0.5969112	-33.15484	2241	0.0000000	103	100	MRPS7; RPS11; RPS12; RPS13; RPS14; RPS15; RPS15A; RPS16; RPS19; RPS2; RPS20; RPS21; RPS23; RPS24; RPS25; RPS27; RPS27L; RPS28; RPS29; RPS3; RPS3A; RPS5; RPS6; RPS7; RPS8; RPSA; RPSAP58; RSRC1	Protein synthesis inhibitor	10219
mebendazole	NKDBA	trt_cp	down	-0.1610422	0.3112760	0.3144514	-0.6504100	NA	229	0.0000000	103	100	TUBA1A; TUBB; TUBB4B	Tubulin inhibitor	4030
digoxigenin	HA1E	trt_cp	down	-0.1556963	0.3129448	0.3144514	-0.5739222	-29.98661	2241	-0.5794236	103	100	ATP1A1	Steroid	15478
EMD-386088	HA1E	trt_cp	down	-0.1488733	0.3139856	0.3144514	-0.5487716	-21.95448	2241	-0.5540573	103	100	HTR6	Serotonin receptor agonist	10131112

Save gess and filtered gess result

GSE134719

Read in data

hom_19_UP <- read.csv(here("res", "deseq2_outputs", "GSE134719_degs_UP_220421.csv"))
hom_19_DOWN <- read.csv(here("res", "deseq2_outputs", "GSE134719_degs_DOWN_220421.csv"))

Run signatureSearch, filter for kidney cell lines

gess_kidneycells_19 <- ssRun(upgenes = as.character(hom_19_UP$entrezgene_id), downgenes = as.character(hom_19_DOWN$entrezgene_id), cells = "kidney")

## 100 / 100 genes in up set share identifiers with reference database

## 100 / 100 genes in down set share identifiers with reference database

Visualize Top 20

gess_res_vis(gess_kidneycells_19, drugs = unique(gess_kidneycells_19$pert)[1:20], col = "WTCS")

knitr::kable(gess_kidneycells_19, col.names = colnames(gess_kidneycells_19))

pert	cell	type	trend	WTCS	WTCS_Pval	WTCS_FDR	NCS	Tau	TauRefSize	NCSct	N_upset	N_downset	t_gn_sym	MOAss	PCIDss
etifenin	HA1E	trt_cp	down	-0.3532343	0.0000285	0.0027657	-1.3914066	-93.66354	2241	0.0000000	100	100	NA	Compound used in hepatobiliary scans of the liver	170344
BRL-37344	HA1E	trt_cp	down	-0.3527752	0.0000285	0.0027657	-1.3895982	-96.60866	2241	0.0000000	100	100	ADRB1; ADRB2; ADRB3	Adrenergic receptor agonist	9841972
L-733060	HA1E	trt_cp	down	-0.3503833	0.0000290	0.0027657	-1.3801762	-95.35921	2241	0.0000000	100	100	TACR1	Tachykinin antagonist	132846
geldanamycin	HA1E	trt_cp	down	-0.3502735	0.0000290	0.0027657	-1.3797438	-96.74253	2241	0.0000000	100	100	HSP90AA1; HSP90AB1; HSP90B1	HSP inhibitor	3460
moexipril	HA1E	trt_cp	down	-0.3462459	0.0000302	0.0027657	-1.3638791	-91.16466	2241	0.0000000	100	100	ACE; ACE2	ACE inhibitor	91270
doxylamine	HA1E	trt_cp	down	-0.3436283	0.0000307	0.0027657	-1.3535680	-97.27800	2241	0.0000000	100	100	CHRM1; HRH1; NR1I3	Histamine receptor antagonist	3162
diazepam	HA1E	trt_cp	down	-0.3400867	0.0000334	0.0027657	-1.3396177	-95.53771	2241	-0.3696447	100	100	ABAT; ADRA1A; DBI; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ; GABRR1; GABRR2; GABRR3; TSPO	Benzodiazepine receptor agonist	3016
ICI-204448	HA1E	trt_cp	down	-0.3373518	0.0000362	0.0027657	-1.3288447	-87.01473	2241	-0.0217558	100	100	OPRK1	Opioid receptor agonist	3683
nafadotride	HA1E	trt_cp	down	-0.3356206	0.0000379	0.0027657	-1.3220252	-98.17046	2241	-0.7756939	100	100	DRD3	Dopamine receptor antagonist	3408722
vinpocetine	HA1E	trt_cp	down	-0.3308412	0.0000458	0.0028052	-1.3031991	-96.16243	2241	0.0000000	100	100	PDE1A; PDE1C; SCN10A	Phosphodiesterase inhibitor; Sodium channel blocker	5673
PAC-1	HA1E	trt_cp	down	-0.3304872	0.0000480	0.0028330	-1.3018045	-92.54797	2241	0.0000000	100	100	CASP3	Caspase activator	135421197
tyrphostin-AG-18	HA1E	trt_cp	down	-0.3301464	0.0000480	0.0028330	-1.3004621	-91.07541	2241	0.0000000	100	100	EGFR	EGFR inhibitor; Tyrosine kinase inhibitor	NotFound
PKCbeta-inhibitor	HA1E	trt_cp	down	-0.3291255	0.0000503	0.0028766	-1.2964409	-90.31682	2241	0.0000000	100	100	PRKCB	PKC inhibitor	6419755
GW-583340	HA1E	trt_cp	down	-0.3276159	0.0000531	0.0029421	-1.2904944	-95.04685	2241	0.0000000	100	100	EGFR; ERBB2	EGFR inhibitor; ErbB2 inhibitor; Receptor tyrosine protein kinase inhibitor	5329480
NVP-AUY922	HA1E	trt_cp	down	-0.3268767	0.0000560	0.0030353	-1.2875826	-93.75279	2241	-1.1605392	100	100	HSP90AA1; HSP90AA2; HSP90AB1; HSP90B1; TRAP1	HSP inhibitor	10096043
CGP-57380	HA1E	trt_cp	down	-0.3256514	0.0000594	0.0031270	-1.2827560	-89.15663	2241	-0.0236837	100	100	AURKB; LCK; MKNK1; MKNK2; SGK1	MAP kinase inhibitor	11644425
BRD-K67941506	HA1E	trt_cp	down	-0.3255690	0.0000594	0.0031270	-1.2824318	-96.47479	2241	0.0000000	100	100	NA	NA	23648028
KU-0060648	HA1E	trt_cp	down	-0.3254064	0.0000629	0.0032362	-1.2817913	-87.77332	2241	0.0000000	100	100	PIK3CA; PIK3CB; PIK3CD; PIK3CG; PRKDC	DNA dependent protein kinase inhibitor; PI3K inhibitor	11964036
LY-344864	HA1E	trt_cp	down	-0.3229286	0.0000720	0.0034627	-1.2720310	-94.42213	2241	-0.0140544	100	100	HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR7	Serotonin receptor agonist	5311097
pizotifen	HA1E	trt_cp	down	-0.3224123	0.0000774	0.0035758	-1.2699971	-87.10397	2241	0.0000000	100	100	ADRA1B; ADRA1D; ADRA2B; ADRA2C; HTR1B; HTR1D; HTR2B	Serotonin receptor antagonist	27400
indirubin-3-monoxime	HA1E	trt_cp	down	-0.3223492	0.0000774	0.0035758	-1.2697487	-92.63722	2241	0.0296066	100	100	NA	NA	3707
JTE-907	HA1E	trt_cp	down	-0.3210093	0.0000829	0.0036791	-1.2644706	-90.89692	2241	-0.0256097	100	100	CNR2	Cannabinoid receptor inverse agonist	9867770
ecopipam	HA1E	trt_cp	down	-0.3166337	0.0001118	0.0043781	-1.2472350	-93.08344	2241	0.0000000	100	100	DRD1	Dopamine receptor antagonist	107930
proadifen	HA1E	trt_cp	down	-0.3151227	0.0001317	0.0048384	-1.2412833	-94.06515	2241	0.0000000	100	100	NOS1	Nitric oxide synthase inhibitor	4910
BRD-K78797196	HA1E	trt_cp	down	-0.3149712	0.0001317	0.0048384	-1.2406864	-95.04685	2241	-0.0208398	100	100	NA	NA	4292126
bisacodyl	HA1E	trt_cp	down	-0.3144715	0.0001429	0.0051032	-1.2387179	-94.24364	2241	0.0000000	100	100	NA	Laxative	2391
levomepromazine	HA1E	trt_cp	down	-0.3117181	0.0001678	0.0056290	-1.2278725	-92.28023	2241	-0.0316712	100	100	ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; CHRM1; CHRM4; CHRM5; DRD1; DRD3; DRD4; HRH1	Dopamine receptor antagonist	45479743
UCL-2077	HA1E	trt_cp	down	-0.3115634	0.0001678	0.0056290	-1.2272631	-88.21954	2241	0.0000000	100	100	NA	Slow after hyperpolarization channel blocker	24868317
BRD-K21640605	HA1E	trt_cp	down	-0.3105156	0.0001829	0.0059181	-1.2231357	-91.78938	2241	0.0000000	100	100	NA	NA	665093
iopanoic-acid	HA1E	trt_cp	down	-0.3092897	0.0002197	0.0066834	-1.2183067	-90.00446	2241	0.0000000	100	100	NA	Radiopaque medium	3735
EMD-386088	HA1E	trt_cp	down	-0.3086546	0.0002197	0.0066834	-1.2158049	-89.06738	2241	0.0000000	100	100	HTR6	Serotonin receptor agonist	10131112
YM-976	HA1E	trt_cp	down	-0.3061182	0.0002885	0.0080981	-1.2058141	-92.41410	2241	0.0000000	100	100	PDE4A; PDE4B; PDE4C; PDE4D; TNF	Phosphodiesterase inhibitor	6604918
BRD-K63181962	HA1E	trt_cp	down	-0.3048264	0.0003168	0.0086859	-1.2007256	-92.77108	2241	0.6805880	100	100	NA	NA	44142057
IB-MECA	HA1E	trt_cp	down	-0.3016991	0.0004167	0.0106450	-1.1884070	-83.22178	2241	0.0000000	100	100	ADORA1; ADORA2A; ADORA2B; ADORA3	Adenosine receptor agonist	3668
mepacrine	HA1E	trt_cp	down	-0.3015095	0.0004167	0.0106450	-1.1876602	-87.28246	2241	0.0000000	100	100	AKT1; MTOR; NFKB1; PLA2G1B; PLA2G2A; PLA2G2D; PLA2G4A; PLA2G6; PLCL1; TP53	Cytokine production inhibitor; NFkB pathway inhibitor; TP53 activator	237
PP-30	HA1E	trt_cp	down	-0.3010807	0.0004571	0.0113979	-1.1859711	-90.80768	2241	-0.8120337	100	100	RAF1	RAF inhibitor	73707372
I-OMe-AG-538	HA1E	trt_cp	down	-0.3008387	0.0004571	0.0113979	-1.1850176	-92.41410	2241	0.0000000	100	100	NA	IGF-1 inhibitor	NotFound
estradiol	HA1E	trt_cp	down	-0.3008067	0.0004571	0.0113979	-1.1848919	-92.68184	2241	0.0000000	100	100	ATP6; BECN1; BPNT1; CHRNA4; CYP2A6; CYP2B6; CYP2C8; CYP2E1; CYP3A5; CYP3A7; ESR1; ESR2; ESRRA; ESRRB; ESRRG; GPER1; HSD17B1; HSD17B11; HSD17B12; HSD17B2; HSD17B6; HSD17B7; HSD17B8; KCNMA1; NCOA2; NR1I2; SHBG; SULT1A1; SULT1E1; UGT1A1; UGT1A10; UGT1A3; UGT1A4; UGT1A5; UGT1A6; UGT1A7; UGT1A8; UGT1A9; UGT2A2; UGT2A3; UGT2B10; UGT2B11; UGT2B15; UGT2B17; UGT2B4; UGT2B7	Contraceptive agent; Estrogen receptor agonist	5757
tetrabenazine	HA1E	trt_cp	down	-0.3007177	0.0004571	0.0113979	-1.1845413	-89.37974	2241	0.0000000	100	100	SLC18A1; SLC18A2	Vesicular monoamine transporter inhibitor	6018
BRD-K72676786	HA1E	trt_cp	down	-0.2997524	0.0005021	0.0121903	-1.1807389	-91.43240	2241	0.0000000	100	100	NA	NA	24747271
MNITMT	HA1E	trt_cp	down	-0.2978051	0.0006023	0.0138817	-1.1730685	-90.04909	2241	-1.0125093	100	100	NA	Lymphocyte inhibitor	364622
fusaric-acid	HA1E	trt_cp	down	-0.2977094	0.0006023	0.0138817	-1.1726915	-83.98037	2241	0.0000000	100	100	DBH	Dopamine beta hydroxylase inhibitor	3442
NAN-190	HA1E	trt_cp	down	-0.2974432	0.0006601	0.0148120	-1.1716426	-80.81214	2241	0.0000000	100	100	ADRA1A; ADRA1B; ADRA1D; HTR1F	Serotonin receptor agonist	4431
CITCO	HA1E	trt_cp	down	-0.2966581	0.0006601	0.0148120	-1.1685502	-85.49755	2241	0.0000000	100	100	NR1I3	CAR agonist	9600409
diloxanide	HA1E	trt_cp	down	-0.2964046	0.0007223	0.0158965	-1.1675516	-93.97590	2241	0.0000000	100	100	NA	Protein synthesis inhibitor	11367
RU-28318	HA1E	trt_cp	down	-0.2954013	0.0007895	0.0169704	-1.1635996	-90.80768	2241	-0.0195205	100	100	NR3C2	Cytochrome P450 inhibitor	3034004
MDM2-inhibitor	HA1E	trt_cp	down	-0.2939791	0.0008647	0.0181538	-1.1579976	-77.24230	2241	0.0000000	100	100	MDM2	MDM inhibitor	10022508
MRS-1754	HA1E	trt_cp	down	-0.2938230	0.0008647	0.0181538	-1.1573828	-72.78001	2241	0.0000000	100	100	ADORA1; ADORA2A; ADORA2B; ADORA3	Adenosine receptor antagonist	6603931
PCA-4248	HA1E	trt_cp	down	-0.2922859	0.0010317	0.0206316	-1.1513279	-81.88309	2241	-0.0245962	100	100	PTAFR	Platelet activating factor receptor antagonist	4698
cabergoline	HA1E	trt_cp	down	-0.2893853	0.0013421	0.0251846	-1.1399022	-63.27532	2241	0.0000000	100	100	ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; DRD1; DRD3; DRD4; HTR1B; HTR1D; HTR2B; HTR7; PRL	Dopamine receptor agonist	54746
BRD-K87657228	HA1E	trt_cp	down	-0.2883665	0.0014655	0.0268314	-1.1358892	-88.66577	2241	0.0000000	100	100	NA	NA	44229067
desipramine	HA1E	trt_cp	down	-0.2879277	0.0014655	0.0268314	-1.1341606	-79.16109	2241	0.0000000	100	100	ADRA1A; ADRA1B; ADRA1D; ADRA2B; ADRA2C; ADRB1; ADRB2; CHRM1; CHRM4; CHRM5; HRH1; SLC22A3; SLC6A2; SLC6A4; SMPD1; TH	Tricyclic antidepressant	2995
UNC-0321	HA1E	trt_cp	down	-0.2875181	0.0014655	0.0268314	-1.1325473	-89.02276	2241	-1.0674354	100	100	EHMT2	Histone lysine methyltransferase inhibitor	46901937
tetrahydrozoline	HA1E	trt_cp	down	-0.2874994	0.0015986	0.0287203	-1.1324736	-75.54663	2241	-0.0226495	100	100	NA	NA	5419
RLM-2-12	HA1E	trt_cp	down	-0.2873216	0.0015986	0.0287203	-1.1317733	-76.92994	2241	0.0000000	100	100	NA	NA	1560402
ephedrine-(racemic)	HA1E	trt_cp	down	-0.2863582	0.0017460	0.0304175	-1.1279784	-87.99643	2241	0.0000000	100	100	NA	NA	NotFound
isogedunin	HA1E	trt_cp	down	-0.2859797	0.0017460	0.0304175	-1.1264877	-74.69880	2241	-0.0189040	100	100	NA	HSP inhibitor	6708584
flavoxate	HA1E	trt_cp	down	-0.2859676	0.0017460	0.0304175	-1.1264397	-73.00312	2241	0.0000000	100	100	CHRM1	Acetylcholine receptor antagonist	3354
JAS07-010	HA1E	trt_cp	down	-0.2855631	0.0017460	0.0304175	-1.1248465	-89.64748	2241	0.0000000	100	100	NA	NA	24747180
isorotenone	HA1E	trt_cp	down	-0.2846129	0.0019031	0.0325014	-1.1211037	-67.29139	2241	0.6542596	100	100	MT-ND1	Mitochondrial complex I inhibitor; NADH-ubiquinone oxidoreductase (Complex I) inhibitor	6453092
BRD-K11533227	HA1E	trt_cp	down	-0.2838189	0.0020710	0.0347611	-1.1179759	-92.14636	2241	0.0000000	100	100	NA	NA	NotFound
BRD-K25150581	HA1E	trt_cp	down	-0.2834925	0.0022521	0.0369114	-1.1166902	-88.84427	2241	-0.0223338	100	100	NA	NA	12179987
ML-9	HA1E	trt_cp	down	-0.2814395	0.0026642	0.0419877	-1.1086034	-83.98037	2241	0.0000000	100	100	MLCK; PKA; PKC; TRPC6	Myosin light chain kinase inhibitor	108047
BRD-A74983348	HA1E	trt_cp	down	-0.2811693	0.0026642	0.0419877	-1.1075393	-88.53191	2241	-0.0205063	100	100	NA	NA	24747150
apigenin	HA1E	trt_cp	down	-0.2804468	0.0028932	0.0448427	-1.1046932	-79.47345	2241	0.0000000	100	100	AKR1B1; AR; CDK6; CFTR; CYP19A1; CYP1A2; CYP1B1; HSD17B1; MAOA; ODC1; TNKS2	Casein kinase inhibitor; Cell proliferation inhibitor; Cytochrome P450 inhibitor	5280443
VAMA-37	HA1E	trt_cp	down	-0.2789875	0.0031381	0.0475647	-1.0989450	-79.91968	2241	-0.0215332	100	100	PRKDC	DNA dependent protein kinase inhibitor	NotFound
zolantidine	HA1E	trt_cp	down	-0.2788342	0.0031381	0.0475647	-1.0983410	-81.07988	2241	0.0000000	100	100	NA	Histamine receptor antagonist	23640915
biochanin-a	HA1E	trt_cp	down	-0.2786473	0.0031381	0.0475647	-1.0976047	-73.49398	2241	0.0000000	100	100	NA	Estrogen receptor agonist	5280373
DR-2313	HA1E	trt_cp	down	-0.2785758	0.0031381	0.0475647	-1.0973232	-83.17715	2241	0.0000000	100	100	PARP1; PARP3	PARP inhibitor	135522417
isoflupredone-acetate	HA1E	trt_cp	down	-0.2781603	0.0034056	0.0505347	-1.0956865	-75.59125	2241	0.0000000	100	100	NA	NA	224246
scandenin	HA1E	trt_cp	down	-0.2781371	0.0034056	0.0505347	-1.0955952	-65.86345	2241	-0.0109560	100	100	NA	Plant compound with antimicrobial activity	634819
KU-0063794	HA1E	trt_cp	down	-0.2741422	0.0046813	0.0645467	-1.0798590	-79.87506	2241	0.0000000	100	100	MTOR	MTOR inhibitor	16736978
dihydroobliquin	HA1E	trt_cp	down	-0.2738348	0.0046813	0.0645467	-1.0786483	-85.14056	2241	0.0000000	100	100	NA	NA	NotFound
rotenonic-acid	HA1E	trt_cp	down	-0.2735611	0.0046813	0.0645467	-1.0775699	-79.60732	2241	0.0000000	100	100	NA	Retinoid receptor antagonist	6708539
CGP-53353	HA1E	trt_cp	down	-0.2717342	0.0054722	0.0725769	-1.0703737	-66.44355	2241	0.0000000	100	100	EGFR; PRKCB	EGFR inhibitor; PKC inhibitor	6711154
BML-190	HA1E	trt_cp	down	-0.2711717	0.0059111	0.0767804	-1.0681580	-81.74922	2241	0.0000000	100	100	CNR2	Cannabinoid receptor inverse agonist	2415
etomidate	HA1E	trt_cp	down	-0.2709351	0.0059111	0.0767804	-1.0672263	-85.58679	2241	-0.0252470	100	100	ADRA2B; CYP11B1; GABRA2; GABRA3; GABRA4; GABRA5; GABRA6; GABRB1; GABRB2; GABRB3; GABRD; GABRE; GABRG1; GABRG2; GABRG3; GABRP; GABRQ	GABA receptor modulator	667484
BMS-191011	HA1E	trt_cp	down	-0.2699256	0.0063767	0.0812889	-1.0632497	-84.15886	2241	0.0000000	100	100	KCNMA1	Potassium channel activator	10474339
BMY-7378	HA1E	trt_cp	down	-0.2698047	0.0063767	0.0812889	-1.0627734	-76.66220	2241	0.0000000	100	100	ADRA1A; ADRA1B; ADRA1D	Adrenergic receptor antagonist; Serotonin receptor antagonist	2419
bezafibrate	HA1E	trt_cp	down	-0.2686336	0.0068820	0.0858962	-1.0581605	-82.64168	2241	-0.3698204	100	100	APOA1; APOA2; APOB; APOE; CETP; CRAT; HBE1; HBG1; HBG2; HSD11B1; LPL; NR1I2; PPARA; PPARD; PPARG; RXRA; RXRB; RXRG; SERPINE1; UCP3	PPAR receptor agonist	39042
mebeverine	HA1E	trt_cp	down	-0.2682823	0.0074167	0.0907946	-1.0567768	-74.52030	2241	0.0000000	100	100	CHRM1; CHRM4; IL13	Acetylcholine receptor antagonist	4031
VER-155008	HA1E	trt_cp	down	-0.2682609	0.0074167	0.0907946	-1.0566925	-76.88532	2241	-0.9234748	100	100	HSPA1A	HSP inhibitor	25195348
thioridazine	HA1E	trt_cp	down	-0.2678815	0.0074167	0.0907946	-1.0551979	-70.81660	2241	-0.5629629	100	100	ADRA1A; ADRA1B; CHRNA7; DRD1; HRH1; HTR1E; HTR6; HTR7; KCNH2; MALT1	Dopamine receptor antagonist	5452
cyproterone	HA1E	trt_cp	down	-0.2674501	0.0079852	0.0957886	-1.0534985	-69.47791	2241	0.0000000	100	100	ADORA1; AR; ESR1	Androgen receptor antagonist; Progesterone receptor agonist; Testosterone receptor antagonist	5284537
BRD-K93443135	HA1E	trt_cp	down	-0.2672973	0.0079852	0.0957886	-1.0528967	-86.16689	2241	0.0000000	100	100	NA	NA	24747343
ramipril	HA1E	trt_cp	down	-0.2665285	0.0079852	0.0957886	-1.0498681	-87.77332	2241	-0.8640743	100	100	ACE; BDKRB1	ACE inhibitor	5362129
BRD-K78716413	HA1E	trt_cp	down	-0.2639323	0.0099400	0.1130976	-1.0396419	-73.49398	2241	0.0000000	100	100	NA	NA	952391
isamoltane	HA1E	trt_cp	down	-0.2638671	0.0099400	0.1130976	-1.0393848	-85.31905	2241	-0.9681760	100	100	NA	NA	127404
ibuprofen-(S)	HA1E	trt_cp	down	-0.2638358	0.0099400	0.1130976	-1.0392617	-69.92414	2241	0.0000000	100	100	NA	NA	39912
BRD-K35790918	HA1E	trt_cp	down	-0.2628377	0.0106731	0.1191669	-1.0353303	-81.74922	2241	-0.0201702	100	100	NA	NA	44142086
benzbromarone	HA1E	trt_cp	down	-0.2626466	0.0106731	0.1191669	-1.0345772	-76.79607	2241	-0.0175001	100	100	ABCC1; CYP2C9; SLC22A12	Chloride channel blocker	2333
nadolol	HA1E	trt_cp	down	-0.2613767	0.0122900	0.1329881	-1.0295751	-73.67247	2241	-0.9797385	100	100	ADRB1; ADRB2; ADRB3	Adrenergic receptor antagonist	39147
azacyclonol	HA1E	trt_cp	down	-0.2591518	0.0141064	0.1478394	-1.0208113	-74.07407	2241	0.0000000	100	100	HRH1	Histamine receptor antagonist	15723
SA-1459020	NKDBA	trt_cp	down	-0.2581065	0.0150962	0.1559711	-1.1279419	NA	229	0.0000000	100	100	NA	NA	54657758
mephenytoin	HA1E	trt_cp	down	-0.2575930	0.0150962	0.1559711	-1.0146710	-73.53860	2241	0.0000000	100	100	NR1I2; SCN5A	Hydantoin antiepileptic	4060
BRD-K22006123	HA1E	trt_cp	down	-0.2571970	0.0161437	0.1643551	-1.0131111	-64.74788	2241	-0.0169914	100	100	NA	NA	24747212
ingenol	NKDBA	trt_cp	down	-0.2567362	0.0161437	0.1643551	-1.1219535	NA	229	1.3327851	100	100	PRKCE	PKC activator	5225086
gavestinel	HA1E	trt_cp	down	-0.2565804	0.0161437	0.1643551	-1.0106822	-70.32575	2241	-1.0115660	100	100	GLRB; GRIN1; GRIN2A; GRIN2B; GRIN2C; GRIN2D; GRIN3A; GRIN3B	Glutamate receptor antagonist	6450546
fluoxetine	HA1E	trt_cp	down	-0.2549330	0.0184416	0.1830059	-1.0041933	-70.95047	2241	0.0000000	100	100	ANO1; CHRNA2; CHRNA3; CHRNB4; CKS1B; CYP2C9; HTR2B; KCNH2; SLC6A4	Selective serotonin reuptake inhibitor (SSRI)	3386
BRD-A98200599	HA1E	trt_cp	down	-0.2548393	0.0184416	0.1830059	-1.0038239	-68.45158	2241	0.8360076	100	100	NA	NA	570188
m-3M3FBS	HA1E	trt_cp	down	-0.2545496	0.0184416	0.1830059	-1.0026828	-73.40473	2241	-0.0190523	100	100	PLCB2; PLCB3; PLCD1; PLCG1; PLCG2	NA	761523
L-152804	HA1E	trt_cp	down	-0.2533643	0.0210094	0.2026674	-0.9980139	-74.38643	2241	0.0299340	100	100	NPY5R	Neuropeptide receptor antagonist	3765615
phenamil	HA1E	trt_cp	down	-0.2530519	0.0210094	0.2026674	-0.9967832	-76.57296	2241	0.0000000	100	100	PKD2L1	TRPV antagonist	135403792
fluperlapine	HA1E	trt_cp	down	-0.2530496	0.0210094	0.2026674	-0.9967743	-74.74342	2241	0.0000000	100	100	HTR6; HTR7	Serotonin receptor antagonist	49381
thalidomide	HA1E	trt_cp	down	-0.2525612	0.0210094	0.2026674	-0.9948506	-61.53503	2241	0.0000000	100	100	CRBN; CYP1A2; CYP2B6; CYP3A5; DDB1; FGF2; FGFR2; IL10; NFKB1; ORM1; ORM2; TNF; VEGFA	TNF production inhibitor	5426
formestane	HA1E	trt_cp	down	-0.2516842	0.0223871	0.2127860	-0.9913957	-50.02231	2241	0.0000000	100	100	CYP19A1	Aromatase inhibitor	44511091
mead-ethanolamide	HA1E	trt_cp	down	-0.2511724	0.0238390	0.2233076	-0.9893800	-70.05801	2241	0.0000000	100	100	NA	Cannabinoid receptor agonist	16061185
napelline	HA1E	trt_cp	down	-0.2506752	0.0238390	0.2233076	-0.9874215	-53.90451	2241	-0.9893841	100	100	NA	NA	441749
hexylresorcinol	HA1E	trt_cp	down	-0.2495058	0.0253670	0.2342779	-0.9828151	-75.50201	2241	0.0000000	100	100	TGM2; TOP1; TYR	Local anesthetic	3610
trifluoperazine	HA1E	trt_cp	down	-0.2489444	0.0269838	0.2446862	-0.9806036	-62.29362	2241	-0.5453392	100	100	ABCG2; ADCY10; ADRA1A; ANXA7; CALM1; CALM2; CALM3; CALY; CAMK2A; DHCR24; DRD4; EBP; EBPL; HRH1; MYLK3; S100A4; SCN4A; SCN9A; SEC23IP; TNNC1	Dopamine receptor antagonist	5566
metergoline	HA1E	trt_cp	down	-0.2486521	0.0269838	0.2446862	-0.9794524	-64.39090	2241	0.0000000	100	100	HTR1B; HTR1D; HTR1E; HTR1F; HTR2B; HTR5A; HTR6; HTR7; SCN2A	Dopamine receptor agonist; Serotonin receptor antagonist	28693
cinanserin	HA1E	trt_cp	down	-0.2477936	0.0286771	0.2570983	-0.9760707	-65.28336	2241	0.0000000	100	100	NA	Serotonin receptor antagonist	5475158
rosuvastatin	HA1E	trt_cp	down	-0.2475109	0.0286771	0.2570983	-0.9749571	-51.22713	2241	0.0000000	100	100	APOB; CRP; HMGCR; SLCO1B1	HMGCR inhibitor	446157
BRD-K19433082	HA1E	trt_cp	down	-0.2467438	0.0304564	0.2686991	-0.9719354	-61.13342	2241	0.0000000	100	100	NA	NA	1999882
ergometrine	HA1E	trt_cp	down	-0.2460977	0.0323254	0.2815131	-0.9693905	-44.57831	2241	0.0000000	100	100	ADRA1A; HTR1E	Adrenergic receptor agonist; Serotonin receptor agonist	3250
beta-CCP	HA1E	trt_cp	down	-0.2459065	0.0323254	0.2815131	-0.9686373	-67.91611	2241	0.0000000	100	100	GABRG2; IDO1	Indoleamine 2,3-dioxygenase inhibitor	123662
SANT-1	HA1E	trt_cp	down	-0.2457189	0.0323254	0.2815131	-0.9678985	-58.14369	2241	-0.0267980	100	100	DHH; IHH; PTCH1; SMO	Smoothened receptor antagonist	6878030
phenylalanyltyrosine	HA1E	trt_cp	down	-0.2452944	0.0342699	0.2938264	-0.9662260	-64.21241	2241	-0.9488708	100	100	NA	NA	515709
BRD-K00640357	HA1E	trt_cp	down	-0.2451780	0.0342699	0.2938264	-0.9657675	-53.32441	2241	0.0000000	100	100	NA	NA	2941340
purmorphamine	HA1E	trt_cp	down	-0.2449103	0.0342699	0.2938264	-0.9647133	-60.06247	2241	0.0000000	100	100	DHH; IHH; PTCH1; SMO	Smoothened receptor agonist	5284329
benzoxiquine	HA1E	trt_cp	down	-0.2433243	0.0384309	0.3144514	-0.9584659	-63.94467	2241	0.0000000	100	100	NA	Anti-infective	6855
dihydrodeoxygedunin	HA1E	trt_cp	down	-0.2430582	0.0384309	0.3144514	-0.9574177	-53.05667	2241	-0.0191484	100	100	NTRK2	Growth factor receptor activator	6708636
BRD-K00863322	HA1E	trt_cp	down	-0.2430488	0.0384309	0.3144514	-0.9573807	-73.00312	2241	0.0193688	100	100	NA	NA	4675130
XE-991	HA1E	trt_cp	down	-0.2422225	0.0406627	0.3144514	-0.9541257	-52.96743	2241	0.0000000	100	100	KCNQ1; KCNQ2; KCNQ3; KCNQ4; KCNQ5	Potassium channel blocker	656732
hyoscyamine	HA1E	trt_cp	down	-0.2419061	0.0406627	0.3144514	-0.9528796	-46.18474	2241	-0.2235319	100	100	CHRM1; CHRM4	Acetylcholine receptor antagonist	154417
BRD-K44878494	HA1E	trt_cp	down	-0.2418530	0.0406627	0.3144514	-0.9526704	-68.04998	2241	-0.0172087	100	100	NA	NA	24747232
BRD-K22587354	HA1E	trt_cp	down	-0.2418296	0.0406627	0.3144514	-0.9525784	-80.36591	2241	-0.5621429	100	100	NA	NA	71576776
JTE-013	HA1E	trt_cp	down	-0.2418165	0.0406627	0.3144514	-0.9525267	-69.07631	2241	-0.7452711	100	100	P2RY10; S1PR2	Lysophospholipid receptor antagonist	10223146
6-benzylaminopurine	HA1E	trt_cp	down	-0.2412134	0.0429869	0.3144514	-0.9501508	-62.82909	2241	-0.0190030	100	100	NA	Purinergic receptor activator	62389
sonidegib	HA1E	trt_cp	down	-0.2403316	0.0454073	0.3144514	-0.9466773	-69.87952	2241	-0.5220475	100	100	SMO	NA	24775005
AZD-8055	HA1E	trt_cp	down	-0.2400072	0.0454073	0.3144514	-0.9453998	-62.11513	2241	0.0000000	100	100	MTOR	MTOR inhibitor	25262965
SA-427604	NKDBA	trt_cp	down	-0.2398731	0.0454073	0.3144514	-1.0482606	NA	229	-0.7023346	100	100	NA	NA	44620034
BRD-K48974000	HA1E	trt_cp	down	-0.2398066	0.0454073	0.3144514	-0.9446096	-58.81303	2241	0.0000000	100	100	NA	NA	1398345
LFM-A13	HA1E	trt_cp	down	-0.2393452	0.0479389	0.3144514	-0.9427920	-62.24900	2241	0.0000000	100	100	BTK	BTK inhibitor	9906875
evoxine	HA1E	trt_cp	down	-0.2389327	0.0479389	0.3144514	-0.9411673	-55.24320	2241	0.0000000	100	100	NA	Furoquinoline alkaloid	673465
BRD-K06956503	HA1E	trt_cp	down	-0.2383153	0.0505539	0.3144514	-0.9387351	-59.12539	2241	0.0000000	100	100	NA	NA	44820570
SA-419083	NKDBA	trt_cp	down	-0.2380175	0.0505539	0.3144514	-1.0401518	NA	229	0.0000000	100	100	NA	NA	44505047
meclizine	HA1E	trt_cp	down	-0.2375315	0.0505539	0.3144514	-0.9356478	-63.18608	2241	0.0000000	100	100	NR1I3	NA	92303
BRD-K42867405	HA1E	trt_cp	down	-0.2372776	0.0532625	0.3144514	-0.9346476	-60.15172	2241	-0.0186930	100	100	NA	NA	2482839
pifithrin-mu	HA1E	trt_cp	down	-0.2367949	0.0532625	0.3144514	-0.9327464	-48.54975	2241	0.0000000	100	100	HSPA1A; TP53	HSP inhibitor	327653
AMN-082	HA1E	trt_cp	down	-0.2361159	0.0560729	0.3144514	-0.9300718	-43.64123	2241	0.0000000	100	100	GRM7	Glutamate receptor modulator; Glutamate receptor positive allosteric modulator	1894361
eicosadienoic-acid	HA1E	trt_cp	down	-0.2345415	0.0589969	0.3144514	-0.9238700	-71.75368	2241	-0.0184774	100	100	NA	NA	6439848
mefexamide	HA1E	trt_cp	down	-0.2342915	0.0620255	0.3144514	-0.9228852	-48.68362	2241	-0.0268487	100	100	NA	Psychoactive drug	4045
IBC-293	HA1E	trt_cp	down	-0.2336145	0.0620255	0.3144514	-0.9202184	-58.94690	2241	0.0000000	100	100	HCAR3	Hydroxycarboxylic acid receptor agonist	2736690
fipronil	HA1E	trt_cp	down	-0.2334642	0.0651636	0.3144514	-0.9196266	-67.02365	2241	0.0000000	100	100	GABRB3	Chloride channel blocker; GABA gated chloride channel blocker	3352
digoxigenin	HA1E	trt_cp	down	-0.2333730	0.0651636	0.3144514	-0.9192672	-53.05667	2241	-0.0275780	100	100	ATP1A1	Steroid	15478
serdemetan	HA1E	trt_cp	down	-0.2332434	0.0651636	0.3144514	-0.9187566	-50.20080	2241	0.0000000	100	100	MDM2	MDM inhibitor	60167550
clomipramine	HA1E	trt_cp	down	-0.2327429	0.0651636	0.3144514	-0.9167853	-54.35074	2241	0.0000000	100	100	HTR2B; SLC6A2; SLC6A3; SLC6A4	Serotonin transporter inhibitor (SERT)	2801
BRD-K07668032	HA1E	trt_cp	down	-0.2322487	0.0684082	0.3144514	-0.9148387	-51.94110	2241	0.0201934	100	100	NA	NA	3234850
adipiodone	HA1E	trt_cp	down	-0.2314545	0.0717490	0.3144514	-0.9117104	-54.88621	2241	0.0000000	100	100	ALB	Contrast agent	3739
BRD-K99737413	HA1E	trt_cp	down	-0.2312035	0.0717490	0.3144514	-0.9107213	-71.44132	2241	0.0000000	100	100	NA	NA	44607577
L-803087	HA1E	trt_cp	down	-0.2311271	0.0717490	0.3144514	-0.9104207	-73.89558	2241	0.0000000	100	100	SSTR4	Somatostatin receptor agonist	9805390
BRD-K87964538	HA1E	trt_cp	down	-0.2311171	0.0717490	0.3144514	-0.9103813	-62.91834	2241	0.0000000	100	100	NA	NA	665518
temefos	HA1E	trt_cp	down	-0.2303000	0.0751866	0.3144514	-0.9071626	-50.60241	2241	0.0000000	100	100	NA	Cholinesterase inhibitor	5392
methoxsalen	HA1E	trt_cp	down	-0.2302008	0.0751866	0.3144514	-0.9067717	-66.97903	2241	-0.0129298	100	100	ACHE; CYP1A2	DNA synthesis inhibitor	4114
luzindole	HA1E	trt_cp	down	-0.2298982	0.0751866	0.3144514	-0.9055800	-60.24096	2241	0.0000000	100	100	MTNR1A; MTNR1B	Melatonin receptor antagonist	122162
PCO-400	HA1E	trt_cp	down	-0.2297113	0.0751866	0.3144514	-0.9048434	-57.02811	2241	0.0000000	100	100	ABCC9; KCNJ8	Potassium channel activator	129348
BRD-K45355657	HA1E	trt_cp	down	-0.2294729	0.0787550	0.3144514	-0.9039046	-43.64123	2241	0.0000000	100	100	NA	NA	23648024
KN-93	HA1E	trt_cp	down	-0.2282534	0.0823825	0.3144514	-0.8991007	-49.93307	2241	0.0000000	100	100	CAMK2A	Calcium-calmodulin dependent protein kinase inhibitor	5312122
LY-456236	HA1E	trt_cp	down	-0.2264400	0.0899926	0.3144514	-0.8919577	-60.10710	2241	-0.5402817	100	100	GRM1	Glutamate receptor antagonist	9926999
alfadolone-acetate	HA1E	trt_cp	down	-0.2259242	0.0899926	0.3144514	-0.8899260	-60.33021	2241	0.0000000	100	100	NA	NA	24733
candesartan-cilextil	HA1E	trt_cp	down	-0.2244334	0.0979693	0.3144514	-0.8840539	-58.58992	2241	0.0000000	100	100	NA	NA	2540
BRD-K01121114	HA1E	trt_cp	down	-0.2244025	0.0979693	0.3144514	-0.8839322	-54.03838	2241	0.0000000	100	100	NA	NA	49843203
SKF-86002	HA1E	trt_cp	down	-0.2243121	0.0979693	0.3144514	-0.8835757	-44.22133	2241	0.0000000	100	100	ALOX5; MAPK14	p38 MAPK inhibitor	5228
SIB-1893	HA1E	trt_cp	down	-0.2231508	0.1020951	0.3144514	-0.8790017	-57.25123	2241	0.3244294	100	100	GRM4; GRM5	Glutamate receptor antagonist	5311432
DAPT-GSI-IX	HA1E	trt_cp	down	-0.2220688	0.1063172	0.3144514	-0.8747395	-52.25346	2241	0.0000000	100	100	NA	Gamma secretase inhibitor	NotFound
BRD-K28366444	HA1E	trt_cp	down	-0.2218061	0.1063172	0.3144514	-0.8737047	-66.80054	2241	-0.0174741	100	100	NA	NA	3234518
dicyclohexylurea	HA1E	trt_cp	down	-0.2215240	0.1063172	0.3144514	-0.8725936	-47.21107	2241	-0.9256587	100	100	EPHX2	Epoxide hydolase inhibitor	4277
BRD-K77432048	HA1E	trt_cp	down	-0.2213094	0.1106222	0.3144514	-0.8717480	-36.63543	2241	-1.0116209	100	100	NA	NA	704129
rimcazole	HA1E	trt_cp	down	-0.2212547	0.1106222	0.3144514	-0.8715326	-49.26372	2241	0.0000000	100	100	SIGMAR1	Sigma receptor antagonist	5072
benzanthrone	HA1E	trt_cp	down	-0.2201718	0.1150293	0.3144514	-0.8672672	-49.62071	2241	-0.0086727	100	100	NA	Aromatic hydrocarbon derivative	6697
BRD-K27074404	HA1E	trt_cp	down	-0.2197446	0.1150293	0.3144514	-0.8655843	-59.57162	2241	-0.6659843	100	100	NA	NA	7211972
AS-605240	HA1E	trt_cp	down	-0.2190472	0.1195050	0.3144514	-0.8628373	-33.95805	2241	-0.8008980	100	100	MAOB; PIK3CA; PIK3CB; PIK3CD; PIK3CG	PI3K inhibitor	10377751
SA-96816	NKDBA	trt_cp	down	-0.2189733	0.1195050	0.3144514	-0.9569272	NA	229	-0.6411412	100	100	NA	NA	44494782
hydrocotarnine	HA1E	trt_cp	down	-0.2188820	0.1195050	0.3144514	-0.8621865	-50.95939	2241	-0.0172437	100	100	NA	Opioid receptor antagonist	3646
laudanosine	HA1E	trt_cp	down	-0.2181108	0.1240573	0.3144514	-0.8591487	-51.40562	2241	-0.0171830	100	100	NA	Central nervous system agent	15548
fludroxycortide	HA1E	trt_cp	down	-0.2178648	0.1240573	0.3144514	-0.8581798	-49.79920	2241	-0.8323914	100	100	NR3C1; SERPINA6	Glucocorticoid receptor agonist	5702172
BRD-K18953385	HA1E	trt_cp	down	-0.2172959	0.1286736	0.3144514	-0.8559389	-55.77867	2241	0.0000000	100	100	NA	NA	2160985
BRD-K93975822	HA1E	trt_cp	down	-0.2169055	0.1286736	0.3144514	-0.8544010	-49.04061	2241	0.0136580	100	100	NA	NA	44142065
SC-560	HA1E	trt_cp	down	-0.2160527	0.1333588	0.3144514	-0.8510417	-42.97189	2241	0.0000000	100	100	NA	Cyclooxygenase inhibitor	4306515
delcorine	HA1E	trt_cp	down	-0.2148330	0.1381184	0.3144514	-0.8462375	-36.54618	2241	-0.7021357	100	100	NA	Antiarrhythmic; Ganglionic blocker	441724
BRD-K32862555	HA1E	trt_cp	down	-0.2145686	0.1381184	0.3144514	-0.8451959	-46.89871	2241	0.0000000	100	100	NA	NA	1580719
tropicamide	HA1E	trt_cp	down	-0.2145257	0.1381184	0.3144514	-0.8450269	-48.19277	2241	0.0000000	100	100	CHRM1; CHRM4	Acetylcholine receptor antagonist	5593
PK-11195	HA1E	trt_cp	down	-0.2133460	0.1477536	0.3144514	-0.8403798	-32.93173	2241	0.0000000	100	100	NR1I2; NR1I3; TSPO	Benzodiazepine receptor antagonist	1345
ditolylguanidine	HA1E	trt_cp	down	-0.2130770	0.1477536	0.3144514	-0.8393202	-38.91120	2241	0.0000000	100	100	GRIN1; GRIN2A; GRIN2B; SIGMAR1	Sigma receptor agonist	7333
BRD-K25522720	HA1E	trt_cp	down	-0.2125161	0.1477536	0.3144514	-0.8371108	-43.77510	2241	0.0000000	100	100	NA	NA	1400698
altanserin	HA1E	trt_cp	down	-0.2121258	0.1526432	0.3144514	-0.8355736	-43.99822	2241	0.0000000	100	100	NA	Serotonin receptor antagonist	3033677
MAPP-D-erythro	HA1E	trt_cp	down	-0.2120605	0.1526432	0.3144514	-0.8353163	-46.31861	2241	0.0000000	100	100	NA	Ceramidase inhibitor	124735
BRD-K03552198	HA1E	trt_cp	down	-0.2098180	0.1625104	0.3144514	-0.8264832	-46.76484	2241	-0.0165297	100	100	NA	NA	1562008
AM-92016	HA1E	trt_cp	down	-0.2093358	0.1674784	0.3144514	-0.8245837	-35.25212	2241	0.0000000	100	100	GRIN1; GRIN2B	Potassium channel blocker	133104
benzamil	HA1E	trt_cp	down	-0.2087232	0.1674784	0.3144514	-0.8221704	-33.91343	2241	0.0000000	100	100	ASIC1; PKD2L1; SCNN1A; SCNN1B; SCNN1D; SCNN1G; SLC8A1	Sodium channel blocker	108107
GW-6471	HA1E	trt_cp	down	-0.2084691	0.1724645	0.3144514	-0.8211697	-45.87238	2241	0.0000000	100	100	PPARA	PPAR receptor antagonist	44634742
BRD-A43126523	HA1E	trt_cp	down	-0.2083079	0.1724645	0.3144514	-0.8205348	-36.50156	2241	0.0000000	100	100	NA	NA	44142346
diclofenamide	HA1E	trt_cp	down	-0.2075989	0.1724645	0.3144514	-0.8177420	-39.58054	2241	-0.0245323	100	100	CA1; CA12; CA3; CA4; CA7	Carbonic anhydrase inhibitor	3038
strychnine	HA1E	trt_cp	down	-0.2069704	0.1774600	0.3144514	-0.8152661	-46.36323	2241	0.0000000	100	100	CHRM1; CHRM4; CHRM5; CHRNA10; CHRNA9; GLRA1; GLRA2; GLRA3; GLRB	Acetylcholine receptor antagonist	441071
BRD-K05153001	HA1E	trt_cp	down	-0.2060520	0.1824439	0.3144514	-0.8116484	-34.40428	2241	0.0000000	100	100	NA	NA	665013
carbofuran	HA1E	trt_cp	down	-0.2058178	0.1824439	0.3144514	-0.8107260	-38.37573	2241	-0.0239840	100	100	NA	Cholinesterase inhibitor	2566
isonicotinohydroxamic-acid	HA1E	trt_cp	down	-0.2056327	0.1824439	0.3144514	-0.8099969	-55.06470	2241	0.0000000	100	100	NA	NA	72967
Ro-04-6790	HA1E	trt_cp	down	-0.2049645	0.1874233	0.3144514	-0.8073648	-33.02097	2241	0.0000000	100	100	HTR6	Serotonin receptor antagonist	5312145
tyrphostin-AG-556	HA1E	trt_cp	down	-0.2040288	0.1923823	0.3144514	-0.8036791	-30.92369	2241	0.0254158	100	100	EGFR	EGFR inhibitor	2059
vanoxerine	HA1E	trt_cp	down	-0.2024406	0.2022059	0.3144514	-0.7974231	-38.64346	2241	0.0000000	100	100	MAOA; MAOB; SLC6A3	Dopamine uptake inhibitor	10238982
SA-1458163	NKDBA	trt_cp	down	-0.2024374	0.2022059	0.3144514	-0.8846642	NA	229	-0.5927250	100	100	NA	NA	54658692
BRD-K27440500	HA1E	trt_cp	down	-0.2023484	0.2022059	0.3144514	-0.7970598	-46.09549	2241	0.0000000	100	100	NA	NA	44142064
diphenidol	HA1E	trt_cp	down	-0.2016603	0.2022059	0.3144514	-0.7943492	-37.30477	2241	0.0000000	100	100	CHRM1; CHRM4	Acetylcholine receptor agonist	3055
CFM-1571	HA1E	trt_cp	down	-0.2010392	0.2070626	0.3144514	-0.7919030	-40.87461	2241	0.0000000	100	100	NA	Guanylate cyclase activator	9844347
BRD-A25829966	HA1E	trt_cp	down	-0.1984848	0.2213004	0.3144514	-0.7818408	-45.02454	2241	-0.7839504	100	100	NA	NA	44537690
PI-828	HA1E	trt_cp	down	-0.1978756	0.2213004	0.3144514	-0.7794413	-33.86881	2241	0.0000000	100	100	NA	PI3K inhibitor	25181195
zacopride	HA1E	trt_cp	down	-0.1972081	0.2259079	0.3144514	-0.7768120	-38.95582	2241	-0.7601136	100	100	HTR3A; HTR3B; HTR3C; HTR3D; HTR3E; HTR4; HTR5A	Serotonin receptor antagonist	108182
O-1918	HA1E	trt_cp	down	-0.1965348	0.2259079	0.3144514	-0.7741600	-32.35163	2241	0.0244772	100	100	NA	Cannabinoid receptor antagonist	40469923
BRD-K85051645	HA1E	trt_cp	down	-0.1959166	0.2304177	0.3144514	-0.7717246	-40.29451	2241	-0.0154345	100	100	NA	NA	56643193
tyrphostin-AG-538	HA1E	trt_cp	down	-0.1956866	0.2304177	0.3144514	-0.7708189	-35.60910	2241	0.0000000	100	100	EGFR	IGF-1 inhibitor	5328760
nitrendipine	HA1E	trt_cp	down	-0.1953174	0.2348545	0.3144514	-0.7693646	-40.20527	2241	0.0000000	100	100	CACNA1C; CACNA1D; CACNA1H; CACNA1S; CACNA2D1; CACNA2D2; CACNB2; CACNG1; KCNN4	Calcium channel blocker	4507
BRD-K70229243	HA1E	trt_cp	down	-0.1950200	0.2348545	0.3144514	-0.7681929	-35.60910	2241	-0.0153639	100	100	NA	NA	24747148
BRL-50481	HA1E	trt_cp	down	-0.1938691	0.2391936	0.3144514	-0.7636596	-35.78759	2241	0.0000000	100	100	PDE7A; PDE7B	Phosphodiesterase inhibitor	2921148
brefeldin-a	HA1E	trt_cp	down	-0.1937467	0.2391936	0.3144514	-0.7631774	-32.21776	2241	0.0000000	100	100	ARF1; ARFGEF1; ARFGEF2; CYTH2; GBF1; SAR1A	Brefeldin A inhibited guanine nucleotide exchange protein inhibitor; Golgi-specific brefeldin A-resistance guanine nucleotide exchange factor inhibitor; Protein synthesis inhibitor	5287620
BRD-K24925364	HA1E	trt_cp	down	-0.1936492	0.2391936	0.3144514	-0.7627932	-33.24409	2241	-0.0152559	100	100	NA	NA	6622773
rizatriptan	HA1E	trt_cp	down	-0.1911486	0.2515630	0.3144514	-0.7529432	-30.87907	2241	-0.0225883	100	100	HTR1B; HTR1D; HTR1E; HTR1F	Serotonin receptor agonist	5078
PQ-401	HA1E	trt_cp	down	-0.1901357	0.2554585	0.3144514	-0.7489533	-27.71084	2241	0.0000000	100	100	IGF1R	IGF-1 inhibitor; IGF-1R inhibitor	9549305
GR-144053	HA1E	trt_cp	down	-0.1887920	0.2592165	0.3144514	-0.7436605	-48.90674	2241	0.0000000	100	100	ITGA2B; ITGB3	Integrin antagonist	173614
HA-1004	HA1E	trt_cp	down	-0.1882436	0.2628384	0.3144514	-0.7415005	-28.96029	2241	0.0000000	100	100	NA	Calcium channel blocker	3546
LY-294002	NKDBA	trt_cp	down	-0.1876634	0.2628384	0.3144514	-0.8201008	NA	229	0.0000000	100	100	AKT1; CHEK1; GSK3B; LCK; MAPK11; MAPK12; MAPK14; MAPK8; MTOR; PDE2A; PIK3CA; PIK3CB; PIK3CD; PIK3CG; PIM1; PLK1; PRKCA; PRKDC; ROCK1; RPS6KB1; SGK1	DNA dependent protein kinase inhibitor; MTOR inhibitor; Phosphodiesterase inhibitor; PI3K inhibitor; PLK inhibitor	3973
RS-102895	HA1E	trt_cp	down	-0.1873888	0.2663461	0.3144514	-0.7381334	-36.76930	2241	-0.7424765	100	100	CCR2	CCR antagonist	10000456
docosatrienoic-acid	HA1E	trt_cp	down	-0.1872494	0.2663461	0.3144514	-0.7375843	-28.78179	2241	0.0000000	100	100	NA	LTB4 inhibitor	5312557
citalopram	HA1E	trt_cp	down	-0.1864800	0.2697161	0.3144514	-0.7345534	-38.37573	2241	-0.0146911	100	100	SLC6A2; SLC6A4	Serotonin reuptake inhibitor	2771
hydrastine-(1r,-9s)	HA1E	trt_cp	down	-0.1857524	0.2697161	0.3144514	-0.7316875	-32.30701	2241	0.0000000	100	100	NA	NA	197834
FR-122047	HA1E	trt_cp	down	-0.1823041	0.2817278	0.3144514	-0.7181044	-30.34360	2241	0.0000000	100	100	NA	Cyclooxygenase inhibitor	196841
BRD-A56831909	HA1E	trt_cp	down	-0.1782509	0.2914100	0.3144514	-0.7021386	-30.87907	2241	0.0158697	100	100	NA	NA	44142078
BRD-K63770300	HA1E	trt_cp	down	-0.1708429	0.3031937	0.3144514	-0.6729583	-28.64793	2241	-0.0134592	100	100	NA	NA	56643207
olvanil	HA1E	trt_cp	down	-0.1698208	0.3043983	0.3144514	-0.6689323	-22.35609	2241	0.0000000	100	100	CNR1; GPR119; TRPV1	TRPV agonist	5808649
asiatic-acid	HA1E	trt_cp	down	-0.1663803	0.3082453	0.3144514	-0.6553800	-30.03124	2241	0.0000000	100	100	PYGM	Apoptosis stimulant	119034

Save gess and filtered gess result

Compare datasets

Dimensions

dim(gess_kidneycells_39)

## [1] 328  16

dim(gess_kidneycells_56)

## [1] 316  16

dim(gess_kidneycells_19)

## [1] 230  16

Drug overlaps

overlap_39_56 <- dplyr::intersect(gess_kidneycells_39$pert, gess_kidneycells_56$pert) 

overlap_39_19 <- dplyr::intersect(gess_kidneycells_39$pert, gess_kidneycells_19$pert) 

overlap_56_19 <- dplyr::intersect(gess_kidneycells_56$pert, gess_kidneycells_19$pert) 

Number of drug overlaps

length(overlap_39_56)

## [1] 68

length(overlap_39_19)

## [1] 53

length(overlap_56_19)

## [1] 102

SignatureSearch Plots

bggenes <- read.csv(file = here("data", "background_genelist_genestoLINCSgenes.csv"), row.names = 1)
#KEGG enrichment based on hypergeometric test
kegg_39 <- enrichKEGG2(gene = as.character(c(hom_degs_UP$entrezgene_id, hom_degs_DOWN$entrezgene_id)), universe = bggenes$entrezgene_id)

## Reading KEGG annotation online:
## 
## Reading KEGG annotation online:

moa_39 <- enrichMOA(gene = as.character(c(hom_degs_UP$entrezgene_id, hom_degs_DOWN$entrezgene_id)))

TSEA

Target Set Enrichment Analysis. Uses target protein, cellular networks and pathways affected by the top ranking drugs

’39 TSEA

#target set enrichment analysis TSEA, looks at target proteins for the drugs and thedrug MOA's or protein family domains
tsea_GO_39 <- tsea_dup_hyperG(drugs = gess_kidneycells_39$pert[1:100], universe = "Default", type = "GO", ont="MF", pvalueCutoff=0.05, pAdjustMethod="BH")

## No targets found in all databases for 41 drugs: 
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869 / brd-k67774729 / brd-k11533227 / er-27319 / fccp / cercosporin / mitomycin-c / sa-425500 / wr-216174 / brd-k07079548 / brd-k01121114 / sa-1921574 / isonicotinohydroxamic-acid / chelidonine / sa-1919877 / chlorphenesin-carbamate / sulconazole / brd-k48974000 / bl003-049-hdac3 / brd-k19876534 / brd-k26767475 / sa-427604 / sa-1920013

## Loading required package: org.Hs.eg.db

## Loading required package: AnnotationDbi

## 

tsea_KEGG_39 <- tsea_dup_hyperG(drugs = gess_kidneycells_39$pert[1:50], universe = "Default", type = "KEGG", pvalueCutoff=0.05, pAdjustMethod="BH")

## No targets found in all databases for 19 drugs: 
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869

dtnetplot(drugs = drugs(tsea_KEGG_39), set = "hsa04024", ont = "MF", desc="cAMP signaling pathway")

## No targets found in all databases for 19 drugs: 
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869

dtnetplot(drugs = drugs(tsea_KEGG_39), set = "hsa04750", ont = "MF", desc="Inflammatory mediator regulation of TRP channels")

## No targets found in all databases for 19 drugs: 
## sa-1919710 / brd-k60870698 / brd-a47816767 / brd-k92317137 / chembl-399379 / sa-1459854 / sa-1922659 / rhodomyrtoxin-b / mw-stk33-2a / brd-k73610817 / brd-k05153001 / sa-1458163 / jak3-inhibitor-vi / brd-k21064560 / pci-24781 / sa-1459234 / bay-11-7082 / chlorambucil / sa-84869

Save TSEA tables

’56 TSEA

tsea_GO_56 <- tsea_dup_hyperG(drugs = gess_kidneycells_56$pert[1:30], universe = "Default", type = "GO", ont="MF", pvalueCutoff=0.05, pAdjustMethod="BH")

## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538

tsea_KEGG_56 <- tsea_dup_hyperG(drugs = gess_kidneycells_56$pert[1:30], universe = "Default", type = "KEGG", pvalueCutoff=0.05, pAdjustMethod="BH")

## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538

dtnetplot(drugs = drugs(tsea_GO_56), set = "GO:0004708", ont = "MF", desc="MAP kinase kinase activity")

## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file

## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file

## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538

dtnetplot(drugs = drugs(tsea_GO_56), set = "GO:0016712", ont = "MF", desc="oxidoreductase activity, acting on paired donors,")

## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538

dtnetplot(drugs = drugs(tsea_GO_56), set = "GO:0005262", ont = "MF", desc="calcium channel activity")

## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538

dtnetplot(drugs = drugs(tsea_KEGG_56), set = "hsa04657", desc="IL-17 signaling pathway")

## No targets found in all databases for 9 drugs: 
## psh-024 / sa-1472734 / carbofuran / nsc-23766 / md-920 / tetrahydrozoline / brd-k49814456 / brd-k42867405 / brd-k87964538

Save TSEA tables

’19 TSEA

tsea_GO_19 <- tsea_dup_hyperG(drugs = gess_kidneycells_19$pert[1:30], universe = "Default", type = "GO", ont="MF", pvalueCutoff=0.05, pAdjustMethod="BH")

## No targets found in all databases for 8 drugs: 
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid

tsea_KEGG_19 <- tsea_dup_hyperG(drugs = gess_kidneycells_19$pert[1:30], universe = "Default", type = "KEGG", pvalueCutoff=0.05, pAdjustMethod="BH")

## No targets found in all databases for 8 drugs: 
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid

dtnetplot(drugs = drugs(tsea_GO_19), set = "GO:0051117", ont = "MF", desc="ATPase binding")

## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file

## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file

## No targets found in all databases for 8 drugs: 
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid

dtnetplot(drugs = drugs(tsea_GO_19), set = "GO:0051117", ont = "MF", desc="ATPase binding")

## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file

## Warning: Corrupt Cache: resource path
##   See AnnotationHub's TroubleshootingTheCache vignette section on corrupt cache
##   cache: /Users/eramsey/Library/Caches/org.R-project.R/R/ExperimentHub
##   potential duplicate files: 
##     addd1a0dac73_3239
##     b0985fb609b3_3239
##     addd77b4bf61_3240
##     b09830caa124_3240
##     16e619159954_3245
##     3d353d854ef2_3245
## Continuing with first found cached file

## No targets found in all databases for 8 drugs: 
## etifenin / brd-k67941506 / indirubin-3-monoxime / brd-k78797196 / bisacodyl / ucl-2077 / brd-k21640605 / iopanoic-acid

Save TSEA tables

#####Plots TSEA

Read back in

tsea_GO_39 <- read.csv(file = here("res", "sigsearch_outputs", "tsea_go_39.csv"), row.names = 1)

DSEA

dsea_39 <- dsea_hyperG(
  drugs = gess_kidneycells_39$pert[1:100],
  type = "GO",
  ont = "MF",
  pvalueCutoff = 0.05,
  pAdjustMethod = "BH",
  qvalueCutoff = 0.2,
  minGSSize = 10,
  maxGSSize = 500
)

write.csv(dsea_39@result, file = here("res", "sigsearch_outputs", "dsea_39.csv"))

dsea_39 <- read.csv(file = here("res", "sigsearch_outputs", "dsea_39.csv"))

Drug Annotations

LINCS Drug Repurposing Hub, contains drug names, MOAs, original indications, and targets

repurpHub <- read.delim(here("data", "Repurposing_Hub_export.txt"))

rHub_19 <- dplyr::inner_join(gess_kidneycells_19, repurpHub, by= c("pert" = "Name"))

rHub_56 <- dplyr::inner_join(gess_kidneycells_56, repurpHub, by= c("pert" = "Name"))

rHub_39 <- dplyr::inner_join(gess_kidneycells_39, repurpHub, by= c("pert" = "Name"))

P70/’39 Already-Launched Drugs

rhub_launched_39 <- dplyr::filter(rHub_39, Phase == "Launched")

write.csv(rhub_launched_39, file = here("res", "sigsearch_outputs", "rhub_launcheddrugs_39.csv"))

Alluvial plot of drugs-targets with just launched drugs

rhub_launched_39_top30 <- dplyr::slice_min(rhub_launched_39, order_by = Tau, n = 20)

rhub_launched_39_top_septarget <- tidyr::separate_rows(rhub_launched_39_top30, Target, sep = ", ")
#remove drugs with empty 'target' field
rhub_launched_39_top_septarget <- dplyr::filter(rhub_launched_39_top_septarget, Target != "")

plot

target_alluvial <- ggplot(data = rhub_launched_39_top_septarget,
       aes(axis1 = pert, axis2 = Target)) +
  geom_alluvium(color = "black", aes(fill = WTCS)) + # , colour = trend)) + 
  geom_stratum(width = 3/12, color = "black") + #the border of the stratum
  scale_x_discrete(expand = c(.07, .07)) + 
  scale_y_discrete(expand = c(.007, .007)) + 
  scale_fill_viridis_c(aesthetics = c("colour", "fill")) +
  geom_text(stat = "stratum", size = 3.5, fontface = "bold", aes(label = after_stat(stratum))) +
  labs(title = "Targets of Top 20 Launched Drugs") +
  theme_void() 


target_alluvial

Save

MOA’s separated, string wrap labels

rhub_launched_39_top_moasep <- tidyr::separate_rows(rhub_launched_39_top30, MOA, sep = ",")

rhub_launched_39_top_moasep$MOA <- stringr::str_wrap(rhub_launched_39_top_moasep$MOA, width = 20)

rhub_launched_39_top_moasep$Disease.Area <- stringr::str_wrap(rhub_launched_39_top_moasep$Disease.Area, width = 30)

plot

moa_alluvial <- ggplot(data = rhub_launched_39_top_moasep,
       aes(axis1 = pert, axis2 = MOA)) +
  geom_alluvium(color = "black", aes(fill = WTCS)) + # , colour = trend)) + 
  geom_stratum(width = 3/12, color = "black") + #the border of the stratum
  scale_x_discrete(expand = c(.07, .07)) + 
  scale_y_discrete(expand = c(.007, .007)) + 
  scale_fill_viridis_c(aesthetics = c("colour", "fill")) +
  geom_text(stat = "stratum", size = 3.5, fontface = "bold", aes(label = after_stat(stratum))) +
  labs(title = "MOA of Top 30 Launched Drugs") +
  theme_void() 


moa_alluvial

Combined repurposing hub annotated dataset drugs

rHub_19_and_56 <-  merge(rHub_19, rHub_56, by = "pert")

rHub_all_inters <- merge(rHub_19_and_56, rHub_39,  by = "pert")

Save

Side effects

Data from onSides
adverse_reactions_bylabel - All extracted adverse reactions from the ADVERSE REACTIONS section of all labels. Each drug will have multiple labels over its lifetime (revisions, generic alternatives, etc.). This table contains the results of extracting adverse reactions from every label available for download from DailyMed. 2,764,338 rows.
label_map - Map between the xml_id (xml filename), zip_id (zip filename), and set_id (drug identifier). 45,989 rows.

reactions <- read.csv(here("data", "onsides_v01", "adverse_reactions.csv"))
reactions_unique <- unique(reactions$concept_name)

warnings <- read.csv(here("data", "onsides_v01", "boxed_warnings.csv"))

labels <- read.csv(here("data", "onsides_v01", "latest_labels_bydrug.csv"))

Looking at reactions for ‘launched’ drugs from P70/’39 results

onsides_39 <- dplyr::left_join(rhub_launched_39, labels, by = c("pert" = "ingredients"))

onsides_39 <- dplyr::left_join(onsides_39, reactions, by = c("latest_xml_id" = "xml_id"))

write.csv(onsides_39, file = here("res", "sigsearch_outputs", "adr_onsides_precystic_drugcandidates"))

Versions

R.Version()

## $platform
## [1] "x86_64-apple-darwin17.0"
## 
## $arch
## [1] "x86_64"
## 
## $os
## [1] "darwin17.0"
## 
## $system
## [1] "x86_64, darwin17.0"
## 
## $status
## [1] ""
## 
## $major
## [1] "4"
## 
## $minor
## [1] "2.0"
## 
## $year
## [1] "2022"
## 
## $month
## [1] "04"
## 
## $day
## [1] "22"
## 
## $`svn rev`
## [1] "82229"
## 
## $language
## [1] "R"
## 
## $version.string
## [1] "R version 4.2.0 (2022-04-22)"
## 
## $nickname
## [1] "Vigorous Calisthenics"

installed.packages()[names(sessionInfo()$otherPkgs), "Version"]

##         org.Hs.eg.db        AnnotationDbi  signatureSearchData 
##             "3.15.0"             "1.58.0"             "1.10.0" 
##                 here                rhdf5        ExperimentHub 
##              "1.0.1"             "2.40.0"              "2.4.0" 
##        AnnotationHub        BiocFileCache               dbplyr 
##              "3.4.0"              "2.4.0"              "2.2.1" 
##                readr           ggalluvial              ggplot2 
##              "2.1.2"             "0.12.3"              "3.3.6" 
##      signatureSearch SummarizedExperiment              Biobase 
##             "1.10.0"             "1.26.1"             "2.56.0" 
##        GenomicRanges         GenomeInfoDb              IRanges 
##             "1.48.0"             "1.32.2"             "2.30.0" 
##            S4Vectors         BiocGenerics       MatrixGenerics 
##             "0.34.0"             "0.42.0"              "1.8.1" 
##          matrixStats                 Rcpp 
##             "0.62.0"              "1.0.9"